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/cargo-63a53b79/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/cargo-63a53b79/inputs/seq.fa: 1
curr_seq: _UUCGCGCGCGCGCGCGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCGCGCGCGCGCGCGCG
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 18 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 95
n_atoms_counter: 95
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _..((((((....))))))_
nucl1: 7, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 6, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 5, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 4, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 3, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 2, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 17
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 18.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.900
successfully initiated
initiating replica nr: 2
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/cargo-63a53b79/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/cargo-63a53b79/inputs/seq.fa: 1
curr_seq: _UUCGCGCGCGCGCGCGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCGCGCGCGCGCGCGCG
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 18 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 95
n_atoms_counter: 95
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _..((((((....))))))_
nucl1: 7, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 6, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 5, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 4, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 3, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 2, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 17
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 18.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.950
successfully initiated
initiating replica nr: 3
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/cargo-63a53b79/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/cargo-63a53b79/inputs/seq.fa: 1
curr_seq: _UUCGCGCGCGCGCGCGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCGCGCGCGCGCGCGCG
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 18 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 95
n_atoms_counter: 95
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _..((((((....))))))_
nucl1: 7, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 6, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 5, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 4, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 3, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 2, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 17
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 18.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.000
successfully initiated
initiating replica nr: 4
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/cargo-63a53b79/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/cargo-63a53b79/inputs/seq.fa: 1
curr_seq: _UUCGCGCGCGCGCGCGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCGCGCGCGCGCGCGCG
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 18 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 95
n_atoms_counter: 95
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _..((((((....))))))_
nucl1: 7, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 6, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 5, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 4, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 3, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 2, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 17
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 18.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.050
successfully initiated
initiating replica nr: 5
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/cargo-63a53b79/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/cargo-63a53b79/inputs/seq.fa: 1
curr_seq: _UUCGCGCGCGCGCGCGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCGCGCGCGCGCGCGCG
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 18 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 95
n_atoms_counter: 95
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _..((((((....))))))_
nucl1: 7, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 6, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 5, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 4, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 3, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 2, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 17
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 18.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.100
successfully initiated
initiating replica nr: 6
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/cargo-63a53b79/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/cargo-63a53b79/inputs/seq.fa: 1
curr_seq: _UUCGCGCGCGCGCGCGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCGCGCGCGCGCGCGCG
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 18 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 95
n_atoms_counter: 95
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _..((((((....))))))_
nucl1: 7, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 6, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 5, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 4, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 3, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 2, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 17
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 18.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.150
successfully initiated
initiating replica nr: 7
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/cargo-63a53b79/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/cargo-63a53b79/inputs/seq.fa: 1
curr_seq: _UUCGCGCGCGCGCGCGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCGCGCGCGCGCGCGCG
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 18 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 95
n_atoms_counter: 95
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _..((((((....))))))_
nucl1: 7, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 6, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 5, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 4, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 3, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 2, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 17
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 18.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.200
successfully initiated
initiating replica nr: 8
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/cargo-63a53b79/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/cargo-63a53b79/inputs/seq.fa: 1
curr_seq: _UUCGCGCGCGCGCGCGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCGCGCGCGCGCGCGCG
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 18 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 95
n_atoms_counter: 95
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _..((((((....))))))_
nucl1: 7, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 6, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 5, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 4, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 3, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 2, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 17
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 18.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.250
successfully initiated
initiating replica nr: 9
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/cargo-63a53b79/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/cargo-63a53b79/inputs/seq.fa: 1
curr_seq: _UUCGCGCGCGCGCGCGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCGCGCGCGCGCGCGCG
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 18 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 95
n_atoms_counter: 95
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _..((((((....))))))_
nucl1: 7, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 6, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 5, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 4, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 3, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 2, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 17
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 18.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.300
successfully initiated
initiating replica nr: 10
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/cargo-63a53b79/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/cargo-63a53b79/inputs/seq.fa: 1
curr_seq: _UUCGCGCGCGCGCGCGCG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UUCGCGCGCGCGCGCGCG
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 18 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 95
n_atoms_counter: 95
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
RNAStructure::secondStrcWeight = 1.000000
chain: 1: _..((((((....))))))_
nucl1: 7, chain1: 0, <---> nucl2: 12, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 7, chainIndex_2: 0, nuclIndex_2: 12
nucl1: 6, chain1: 0, <---> nucl2: 13, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 6, chainIndex_2: 0, nuclIndex_2: 13
nucl1: 5, chain1: 0, <---> nucl2: 14, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 5, chainIndex_2: 0, nuclIndex_2: 14
nucl1: 4, chain1: 0, <---> nucl2: 15, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 4, chainIndex_2: 0, nuclIndex_2: 15
nucl1: 3, chain1: 0, <---> nucl2: 16, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 3, chainIndex_2: 0, nuclIndex_2: 16
nucl1: 2, chain1: 0, <---> nucl2: 17, chain2: 0
secondary structure restraint added:
chainIndex_1: 0, nuclIndex_1: 2, chainIndex_2: 0, nuclIndex_2: 17
RNAStructure::tertiaryStrcWeight = 1.000000
EntireStructure::rnaStruct limitingSphereRadius : 18.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.350
successfully initiated
.calculating
program compiled for parallel execution of replicas in Replica Exchange MC method
program can utilize maximum as many CPU cores as replicas, in this case: 10
==================================
temp. level: 1, replica: 1
=====================================
Write number: 1
Temperature: 0.900000
Total energy: 48.853744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 48.853744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.105354 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -67.105319
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 115.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: 48.853744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 48.853744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.105354 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -67.105319
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 115.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: 48.853744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 48.853744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.105354 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -67.105319
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 115.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: 48.853744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 48.853744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.105354 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -67.105319
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 115.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: 48.853744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 48.853744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.105354 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -67.105319
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 115.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: 48.853744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 48.853744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.105354 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -67.105319
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 115.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: 48.853744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 48.853744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.105354 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -67.105319
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 115.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: 48.853744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 48.853744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.105354 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -67.105319
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 115.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: 48.853744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 48.853744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.105354 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -67.105319
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 115.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: 48.853744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: 48.853744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.105354 (E_RNA)
where:
Base-Base interactions energy: 0.000
where: short stacking energy: 0.000
Base-Backbone interact. energy: -0.000
local terms energy: -67.105319
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 115.959 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -184.215543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.215543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.353448 (E_RNA)
where:
Base-Base interactions energy: -123.373
where: short stacking energy: -50.604
Base-Backbone interact. energy: -0.107
local terms energy: -60.872888
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -13.549
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -10.539
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -161.631318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.631318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.520750 (E_RNA)
where:
Base-Base interactions energy: -104.279
where: short stacking energy: -48.230
Base-Backbone interact. energy: 1.360
local terms energy: -62.601281
where:
bonds (distance) C4'-P energy: -13.236
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -11.756
Dist. restrs. and SS energy: 3.889 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -176.524071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.524071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.113109 (E_RNA)
where:
Base-Base interactions energy: -122.740
where: short stacking energy: -51.172
Base-Backbone interact. energy: -0.006
local terms energy: -54.367335
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -13.245
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -2.634
tors. eta vs tors. theta energy: -11.198
Dist. restrs. and SS energy: 0.589 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -171.136663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.136663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.976275 (E_RNA)
where:
Base-Base interactions energy: -119.875
where: short stacking energy: -57.692
Base-Backbone interact. energy: -0.365
local terms energy: -58.735598
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -6.030
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -14.641
Dist. restrs. and SS energy: 7.840 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -190.923233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.923233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.604322 (E_RNA)
where:
Base-Base interactions energy: -143.406
where: short stacking energy: -61.587
Base-Backbone interact. energy: -0.378
local terms energy: -55.820954
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -8.811
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -13.996
Dist. restrs. and SS energy: 8.681 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -124.319625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.319625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.396182 (E_RNA)
where:
Base-Base interactions energy: -88.745
where: short stacking energy: -30.498
Base-Backbone interact. energy: 0.755
local terms energy: -38.406451
where:
bonds (distance) C4'-P energy: -9.445
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -7.401
flat angles P-C4'-P energy: -5.412
tors. eta vs tors. theta energy: -2.851
Dist. restrs. and SS energy: 2.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -175.288377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.288377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.914474 (E_RNA)
where:
Base-Base interactions energy: -127.449
where: short stacking energy: -53.090
Base-Backbone interact. energy: -0.308
local terms energy: -48.158017
where:
bonds (distance) C4'-P energy: -8.784
bonds (distance) P-C4' energy: -8.555
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -5.149
tors. eta vs tors. theta energy: -13.031
Dist. restrs. and SS energy: 0.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -189.885583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.885583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.961040 (E_RNA)
where:
Base-Base interactions energy: -133.151
where: short stacking energy: -51.280
Base-Backbone interact. energy: -0.037
local terms energy: -56.773130
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -11.670
flat angles C4'-P-C4' energy: -11.124
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -12.493
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -180.740257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.740257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.813940 (E_RNA)
where:
Base-Base interactions energy: -126.185
where: short stacking energy: -42.860
Base-Backbone interact. energy: -0.138
local terms energy: -54.491829
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -10.941
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -11.084
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -195.847404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.847404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.918574 (E_RNA)
where:
Base-Base interactions energy: -139.095
where: short stacking energy: -53.791
Base-Backbone interact. energy: -0.034
local terms energy: -56.789976
where:
bonds (distance) C4'-P energy: -8.005
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -12.173
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -195.033331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.033331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.967512 (E_RNA)
where:
Base-Base interactions energy: -131.830
where: short stacking energy: -55.733
Base-Backbone interact. energy: -0.668
local terms energy: -64.469380
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -11.861
Dist. restrs. and SS energy: 1.934 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -206.597540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.597540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.738846 (E_RNA)
where:
Base-Base interactions energy: -144.942
where: short stacking energy: -51.408
Base-Backbone interact. energy: -0.010
local terms energy: -61.786916
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -8.874
tors. eta vs tors. theta energy: -12.087
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -172.401360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.401360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.728961 (E_RNA)
where:
Base-Base interactions energy: -116.281
where: short stacking energy: -46.748
Base-Backbone interact. energy: -0.146
local terms energy: -56.302329
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -6.553
tors. eta vs tors. theta energy: -8.832
Dist. restrs. and SS energy: 0.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -185.131299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.131299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.805593 (E_RNA)
where:
Base-Base interactions energy: -142.415
where: short stacking energy: -59.243
Base-Backbone interact. energy: -0.057
local terms energy: -50.333635
where:
bonds (distance) C4'-P energy: -9.427
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -6.526
flat angles P-C4'-P energy: -6.677
tors. eta vs tors. theta energy: -11.733
Dist. restrs. and SS energy: 7.674 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -160.681562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.681562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.722885 (E_RNA)
where:
Base-Base interactions energy: -108.489
where: short stacking energy: -49.962
Base-Backbone interact. energy: -0.648
local terms energy: -58.585558
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -10.104
Dist. restrs. and SS energy: 7.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -188.989530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.989530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.286155 (E_RNA)
where:
Base-Base interactions energy: -143.903
where: short stacking energy: -58.972
Base-Backbone interact. energy: -0.194
local terms energy: -45.189416
where:
bonds (distance) C4'-P energy: -9.154
bonds (distance) P-C4' energy: -10.343
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -1.659
tors. eta vs tors. theta energy: -8.881
Dist. restrs. and SS energy: 0.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -157.415422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.415422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.343721 (E_RNA)
where:
Base-Base interactions energy: -103.165
where: short stacking energy: -48.709
Base-Backbone interact. energy: -0.057
local terms energy: -55.121415
where:
bonds (distance) C4'-P energy: -10.630
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -8.501
Dist. restrs. and SS energy: 0.928 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -209.274076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.274076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.278215 (E_RNA)
where:
Base-Base interactions energy: -150.698
where: short stacking energy: -57.608
Base-Backbone interact. energy: -0.033
local terms energy: -58.546465
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -10.852
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: -16.976
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: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -198.931412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.931412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.931412 (E_RNA)
where:
Base-Base interactions energy: -142.781
where: short stacking energy: -53.128
Base-Backbone interact. energy: -0.000
local terms energy: -56.149975
where:
bonds (distance) C4'-P energy: -10.822
bonds (distance) P-C4' energy: -11.866
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -6.696
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: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -205.712454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.712454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.795144 (E_RNA)
where:
Base-Base interactions energy: -139.088
where: short stacking energy: -57.127
Base-Backbone interact. energy: 0.959
local terms energy: -67.666040
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -16.285
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -214.013317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.013317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.165748 (E_RNA)
where:
Base-Base interactions energy: -154.491
where: short stacking energy: -66.658
Base-Backbone interact. energy: -0.002
local terms energy: -59.672748
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -12.045
flat angles P-C4'-P energy: -6.694
tors. eta vs tors. theta energy: -16.250
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -183.059159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.059159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.916217 (E_RNA)
where:
Base-Base interactions energy: -123.370
where: short stacking energy: -56.255
Base-Backbone interact. energy: -0.854
local terms energy: -61.692038
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -12.635
Dist. restrs. and SS energy: 2.857 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -192.028651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.028651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.866306 (E_RNA)
where:
Base-Base interactions energy: -137.149
where: short stacking energy: -59.676
Base-Backbone interact. energy: -0.011
local terms energy: -61.706257
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -14.039
Dist. restrs. and SS energy: 6.838 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -187.537974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.537974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.594249 (E_RNA)
where:
Base-Base interactions energy: -132.683
where: short stacking energy: -48.410
Base-Backbone interact. energy: -0.036
local terms energy: -54.875238
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -9.827
flat angles P-C4'-P energy: -6.808
tors. eta vs tors. theta energy: -12.974
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -204.589565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.589565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.697518 (E_RNA)
where:
Base-Base interactions energy: -142.974
where: short stacking energy: -60.793
Base-Backbone interact. energy: -0.001
local terms energy: -61.722647
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -15.039
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -166.890830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.890830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.191205 (E_RNA)
where:
Base-Base interactions energy: -115.481
where: short stacking energy: -53.431
Base-Backbone interact. energy: -0.048
local terms energy: -58.662299
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -11.749
flat angles C4'-P-C4' energy: -13.912
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -12.848
Dist. restrs. and SS energy: 7.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -206.992894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.992894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.230211 (E_RNA)
where:
Base-Base interactions energy: -154.187
where: short stacking energy: -57.033
Base-Backbone interact. energy: -0.047
local terms energy: -52.996567
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -11.195
flat angles C4'-P-C4' energy: -10.129
flat angles P-C4'-P energy: -1.699
tors. eta vs tors. theta energy: -16.331
Dist. restrs. and SS energy: 0.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -183.392622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.392622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.392622 (E_RNA)
where:
Base-Base interactions energy: -130.049
where: short stacking energy: -49.961
Base-Backbone interact. energy: -0.112
local terms energy: -53.231545
where:
bonds (distance) C4'-P energy: -7.019
bonds (distance) P-C4' energy: -12.856
flat angles C4'-P-C4' energy: -10.826
flat angles P-C4'-P energy: -9.473
tors. eta vs tors. theta energy: -13.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -194.625466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.625466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.655030 (E_RNA)
where:
Base-Base interactions energy: -134.354
where: short stacking energy: -57.517
Base-Backbone interact. energy: -0.000
local terms energy: -60.300549
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -12.097
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -6.571
tors. eta vs tors. theta energy: -14.764
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -196.057935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.057935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.169051 (E_RNA)
where:
Base-Base interactions energy: -130.570
where: short stacking energy: -49.696
Base-Backbone interact. energy: -0.031
local terms energy: -65.567867
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -9.731
tors. eta vs tors. theta energy: -16.553
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: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -213.544164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.544164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.555644 (E_RNA)
where:
Base-Base interactions energy: -159.717
where: short stacking energy: -70.876
Base-Backbone interact. energy: -0.001
local terms energy: -53.838141
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -9.692
flat angles C4'-P-C4' energy: -11.308
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -13.649
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -206.091118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.091118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.123265 (E_RNA)
where:
Base-Base interactions energy: -142.760
where: short stacking energy: -58.057
Base-Backbone interact. energy: -0.047
local terms energy: -63.316609
where:
bonds (distance) C4'-P energy: -9.262
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -13.678
tors. eta vs tors. theta energy: -14.576
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: 5
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -200.280904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.280904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.418508 (E_RNA)
where:
Base-Base interactions energy: -143.023
where: short stacking energy: -58.627
Base-Backbone interact. energy: -0.029
local terms energy: -65.365991
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -11.709
Dist. restrs. and SS energy: 8.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -215.356549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.356549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.488197 (E_RNA)
where:
Base-Base interactions energy: -156.134
where: short stacking energy: -60.537
Base-Backbone interact. energy: -0.006
local terms energy: -59.349043
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -3.938
tors. eta vs tors. theta energy: -15.736
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -201.133696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.133696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.210925 (E_RNA)
where:
Base-Base interactions energy: -152.851
where: short stacking energy: -58.094
Base-Backbone interact. energy: -0.044
local terms energy: -48.315809
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -6.995
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -0.699
tors. eta vs tors. theta energy: -13.417
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -205.237797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.237797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.335684 (E_RNA)
where:
Base-Base interactions energy: -143.459
where: short stacking energy: -53.033
Base-Backbone interact. energy: -0.243
local terms energy: -61.633180
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -13.244
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: 4
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -183.902229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.902229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.880925 (E_RNA)
where:
Base-Base interactions energy: -132.029
where: short stacking energy: -57.637
Base-Backbone interact. energy: -0.000
local terms energy: -59.851464
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -13.777
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -13.357
Dist. restrs. and SS energy: 7.979 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -203.151242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.151242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.153435 (E_RNA)
where:
Base-Base interactions energy: -141.676
where: short stacking energy: -54.842
Base-Backbone interact. energy: 0.246
local terms energy: -61.723679
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -14.115
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -201.865642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.865642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.029089 (E_RNA)
where:
Base-Base interactions energy: -137.087
where: short stacking energy: -56.798
Base-Backbone interact. energy: -0.164
local terms energy: -64.777353
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -16.095
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -200.888217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.888217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.952975 (E_RNA)
where:
Base-Base interactions energy: -148.676
where: short stacking energy: -56.111
Base-Backbone interact. energy: -0.028
local terms energy: -52.248857
where:
bonds (distance) C4'-P energy: -8.281
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -4.255
tors. eta vs tors. theta energy: -13.270
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: 6
Temperature: 0.900000
Total energy: -219.390262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.390262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.452891 (E_RNA)
where:
Base-Base interactions energy: -154.245
where: short stacking energy: -67.772
Base-Backbone interact. energy: -0.001
local terms energy: -65.206827
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -6.959
tors. eta vs tors. theta energy: -18.335
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -208.713699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.713699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.787759 (E_RNA)
where:
Base-Base interactions energy: -152.731
where: short stacking energy: -58.784
Base-Backbone interact. energy: -0.321
local terms energy: -55.735915
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -4.682
tors. eta vs tors. theta energy: -11.007
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -218.671881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.671881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.671881 (E_RNA)
where:
Base-Base interactions energy: -157.076
where: short stacking energy: -59.319
Base-Backbone interact. energy: -0.179
local terms energy: -61.416911
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: -13.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -194.818837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.818837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.088191 (E_RNA)
where:
Base-Base interactions energy: -144.194
where: short stacking energy: -64.443
Base-Backbone interact. energy: -0.299
local terms energy: -57.595152
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -6.507
tors. eta vs tors. theta energy: -14.878
Dist. restrs. and SS energy: 7.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -211.975546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.975546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.139579 (E_RNA)
where:
Base-Base interactions energy: -146.563
where: short stacking energy: -64.197
Base-Backbone interact. energy: -0.380
local terms energy: -65.196760
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -13.118
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -15.668
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -190.534998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.534998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.550642 (E_RNA)
where:
Base-Base interactions energy: -134.117
where: short stacking energy: -51.570
Base-Backbone interact. energy: -0.047
local terms energy: -56.386030
where:
bonds (distance) C4'-P energy: -9.045
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -11.738
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -12.462
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -198.393288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.393288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.728136 (E_RNA)
where:
Base-Base interactions energy: -137.074
where: short stacking energy: -56.016
Base-Backbone interact. energy: -0.002
local terms energy: -61.652351
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -6.607
tors. eta vs tors. theta energy: -15.625
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: 8, replica: 4
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -184.575315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.575315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.484352 (E_RNA)
where:
Base-Base interactions energy: -139.729
where: short stacking energy: -59.405
Base-Backbone interact. energy: -0.036
local terms energy: -52.719281
where:
bonds (distance) C4'-P energy: -5.966
bonds (distance) P-C4' energy: -10.490
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -14.190
Dist. restrs. and SS energy: 7.909 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -196.508323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.508323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.628482 (E_RNA)
where:
Base-Base interactions energy: -141.707
where: short stacking energy: -58.926
Base-Backbone interact. energy: -0.005
local terms energy: -54.916295
where:
bonds (distance) C4'-P energy: -8.480
bonds (distance) P-C4' energy: -10.489
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: -17.111
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -193.026927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.026927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.069539 (E_RNA)
where:
Base-Base interactions energy: -139.309
where: short stacking energy: -56.865
Base-Backbone interact. energy: 2.737
local terms energy: -56.497288
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -8.560
flat angles C4'-P-C4' energy: -12.011
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -16.748
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -218.884027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.884027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.884027 (E_RNA)
where:
Base-Base interactions energy: -148.859
where: short stacking energy: -62.195
Base-Backbone interact. energy: -0.041
local terms energy: -69.983478
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -16.278
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -11.227
tors. eta vs tors. theta energy: -16.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -219.240888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.240888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.247753 (E_RNA)
where:
Base-Base interactions energy: -161.530
where: short stacking energy: -61.894
Base-Backbone interact. energy: -0.250
local terms energy: -57.468347
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -11.520
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -3.969
tors. eta vs tors. theta energy: -14.636
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -221.346903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.346903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.501497 (E_RNA)
where:
Base-Base interactions energy: -157.939
where: short stacking energy: -60.702
Base-Backbone interact. energy: -0.043
local terms energy: -63.519105
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -13.633
Dist. restrs. and SS energy: 0.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -213.274749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.274749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.473226 (E_RNA)
where:
Base-Base interactions energy: -149.291
where: short stacking energy: -60.834
Base-Backbone interact. energy: -0.041
local terms energy: -64.141242
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -10.611
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -17.048
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: 7
Temperature: 1.100000
Total energy: -189.317813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.317813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.453970 (E_RNA)
where:
Base-Base interactions energy: -142.231
where: short stacking energy: -59.725
Base-Backbone interact. energy: -0.027
local terms energy: -55.195864
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -10.110
flat angles C4'-P-C4' energy: -11.028
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -13.032
Dist. restrs. and SS energy: 8.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -212.885605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.885605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.885605 (E_RNA)
where:
Base-Base interactions energy: -156.486
where: short stacking energy: -60.925
Base-Backbone interact. energy: -0.128
local terms energy: -56.271441
where:
bonds (distance) C4'-P energy: -10.098
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -5.728
tors. eta vs tors. theta energy: -15.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -196.465453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.465453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.533951 (E_RNA)
where:
Base-Base interactions energy: -137.447
where: short stacking energy: -55.320
Base-Backbone interact. energy: -0.000
local terms energy: -59.086413
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -10.850
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: -14.361
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -190.911822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.911822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.348253 (E_RNA)
where:
Base-Base interactions energy: -132.880
where: short stacking energy: -59.031
Base-Backbone interact. energy: -0.003
local terms energy: -65.464759
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -14.963
Dist. restrs. and SS energy: 7.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -192.139379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.139379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.315082 (E_RNA)
where:
Base-Base interactions energy: -136.511
where: short stacking energy: -55.140
Base-Backbone interact. energy: -0.011
local terms energy: -55.792529
where:
bonds (distance) C4'-P energy: -8.000
bonds (distance) P-C4' energy: -11.413
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -13.995
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -193.717931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.717931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.762332 (E_RNA)
where:
Base-Base interactions energy: -140.238
where: short stacking energy: -54.120
Base-Backbone interact. energy: -0.002
local terms energy: -53.521726
where:
bonds (distance) C4'-P energy: -6.736
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -11.360
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: -15.291
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -220.524169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.524169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.685590 (E_RNA)
where:
Base-Base interactions energy: -154.042
where: short stacking energy: -62.257
Base-Backbone interact. energy: -0.098
local terms energy: -66.545983
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -15.658
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -17.716
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -227.713458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.713458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.767698 (E_RNA)
where:
Base-Base interactions energy: -166.779
where: short stacking energy: -65.069
Base-Backbone interact. energy: -0.127
local terms energy: -60.861348
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -4.523
tors. eta vs tors. theta energy: -16.753
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: 8
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -220.910013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.910013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.084110 (E_RNA)
where:
Base-Base interactions energy: -154.982
where: short stacking energy: -67.224
Base-Backbone interact. energy: -0.145
local terms energy: -65.957625
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -10.571
tors. eta vs tors. theta energy: -13.801
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -214.416207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.416207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.456095 (E_RNA)
where:
Base-Base interactions energy: -160.074
where: short stacking energy: -62.225
Base-Backbone interact. energy: -0.019
local terms energy: -54.363162
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -7.875
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -2.361
tors. eta vs tors. theta energy: -14.688
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -221.474520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.474520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.979779 (E_RNA)
where:
Base-Base interactions energy: -167.158
where: short stacking energy: -65.157
Base-Backbone interact. energy: -0.146
local terms energy: -54.676478
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: 1.341
tors. eta vs tors. theta energy: -15.809
Dist. restrs. and SS energy: 0.505 (S_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: 8
Temperature: 1.150000
Total energy: -183.914659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.914659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.878738 (E_RNA)
where:
Base-Base interactions energy: -133.884
where: short stacking energy: -57.138
Base-Backbone interact. energy: -0.067
local terms energy: -56.927503
where:
bonds (distance) C4'-P energy: -8.948
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -12.075
Dist. restrs. and SS energy: 6.964 (S_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: 8
Temperature: 1.200000
Total energy: -189.084387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.084387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.209545 (E_RNA)
where:
Base-Base interactions energy: -133.714
where: short stacking energy: -55.235
Base-Backbone interact. energy: -0.067
local terms energy: -63.428385
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -15.668
Dist. restrs. and SS energy: 8.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -199.348086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.348086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.389193 (E_RNA)
where:
Base-Base interactions energy: -140.013
where: short stacking energy: -54.196
Base-Backbone interact. energy: -0.004
local terms energy: -59.372565
where:
bonds (distance) C4'-P energy: -12.975
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -5.704
tors. eta vs tors. theta energy: -16.566
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -192.150375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.150375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.359668 (E_RNA)
where:
Base-Base interactions energy: -136.888
where: short stacking energy: -54.434
Base-Backbone interact. energy: -0.304
local terms energy: -55.167612
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -10.572
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -10.892
Dist. restrs. and SS energy: 0.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -187.493089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.493089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.691794 (E_RNA)
where:
Base-Base interactions energy: -130.761
where: short stacking energy: -48.642
Base-Backbone interact. energy: -0.144
local terms energy: -56.786149
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -7.834
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -15.334
Dist. restrs. and SS energy: 0.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -224.227020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.227020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.286659 (E_RNA)
where:
Base-Base interactions energy: -157.381
where: short stacking energy: -67.338
Base-Backbone interact. energy: -0.001
local terms energy: -66.905051
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -18.878
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -216.732804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.732804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.791080 (E_RNA)
where:
Base-Base interactions energy: -147.172
where: short stacking energy: -63.197
Base-Backbone interact. energy: -0.294
local terms energy: -69.324864
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -17.304
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: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -216.752957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.752957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.851705 (E_RNA)
where:
Base-Base interactions energy: -159.226
where: short stacking energy: -63.432
Base-Backbone interact. energy: -0.048
local terms energy: -57.577857
where:
bonds (distance) C4'-P energy: -13.070
bonds (distance) P-C4' energy: -11.816
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -2.948
tors. eta vs tors. theta energy: -17.308
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -207.028441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.028441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.360984 (E_RNA)
where:
Base-Base interactions energy: -149.782
where: short stacking energy: -63.397
Base-Backbone interact. energy: 0.409
local terms energy: -57.988858
where:
bonds (distance) C4'-P energy: -8.649
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -13.909
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: 5, replica: 3
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -203.394002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.394002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.453861 (E_RNA)
where:
Base-Base interactions energy: -157.907
where: short stacking energy: -58.549
Base-Backbone interact. energy: -0.580
local terms energy: -44.967486
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -10.851
flat angles C4'-P-C4' energy: -7.566
flat angles P-C4'-P energy: -3.767
tors. eta vs tors. theta energy: -11.665
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -191.789810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.789810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.093237 (E_RNA)
where:
Base-Base interactions energy: -141.173
where: short stacking energy: -61.052
Base-Backbone interact. energy: -0.234
local terms energy: -57.686382
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -11.794
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -14.310
Dist. restrs. and SS energy: 7.303 (S_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: 9
Temperature: 1.200000
Total energy: -181.263227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.263227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.166697 (E_RNA)
where:
Base-Base interactions energy: -128.913
where: short stacking energy: -59.435
Base-Backbone interact. energy: -0.001
local terms energy: -60.252665
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -10.681
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -15.481
Dist. restrs. and SS energy: 7.903 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -202.925183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.925183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.967174 (E_RNA)
where:
Base-Base interactions energy: -147.906
where: short stacking energy: -57.018
Base-Backbone interact. energy: -0.005
local terms energy: -55.056316
where:
bonds (distance) C4'-P energy: -8.645
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -6.657
tors. eta vs tors. theta energy: -14.441
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -193.011059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.011059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.029946 (E_RNA)
where:
Base-Base interactions energy: -150.007
where: short stacking energy: -57.678
Base-Backbone interact. energy: -0.004
local terms energy: -43.019470
where:
bonds (distance) C4'-P energy: -8.662
bonds (distance) P-C4' energy: -6.481
flat angles C4'-P-C4' energy: -8.041
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -11.281
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -195.618944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.618944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.631352 (E_RNA)
where:
Base-Base interactions energy: -135.831
where: short stacking energy: -51.029
Base-Backbone interact. energy: -0.454
local terms energy: -59.345836
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -13.834
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: 8
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -230.164689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.164689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.260852 (E_RNA)
where:
Base-Base interactions energy: -164.950
where: short stacking energy: -68.264
Base-Backbone interact. energy: -0.020
local terms energy: -65.290003
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -17.173
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -220.143826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.143826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.325593 (E_RNA)
where:
Base-Base interactions energy: -150.369
where: short stacking energy: -63.338
Base-Backbone interact. energy: -0.244
local terms energy: -69.712625
where:
bonds (distance) C4'-P energy: -11.138
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -15.896
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -17.735
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -223.680609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.680609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.680609 (E_RNA)
where:
Base-Base interactions energy: -161.480
where: short stacking energy: -62.546
Base-Backbone interact. energy: -0.651
local terms energy: -61.549108
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -12.082
flat angles C4'-P-C4' energy: -12.206
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -15.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -209.872064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.872064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.898431 (E_RNA)
where:
Base-Base interactions energy: -144.706
where: short stacking energy: -55.545
Base-Backbone interact. energy: -0.024
local terms energy: -65.167955
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -12.244
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -14.857
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: 5
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -194.550545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.550545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.005242 (E_RNA)
where:
Base-Base interactions energy: -137.498
where: short stacking energy: -55.468
Base-Backbone interact. energy: -0.041
local terms energy: -64.466311
where:
bonds (distance) C4'-P energy: -7.428
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -9.358
tors. eta vs tors. theta energy: -16.138
Dist. restrs. and SS energy: 7.455 (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: 3
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -205.833934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.833934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.186399 (E_RNA)
where:
Base-Base interactions energy: -143.737
where: short stacking energy: -65.155
Base-Backbone interact. energy: 0.288
local terms energy: -62.737302
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -15.508
Dist. restrs. and SS energy: 0.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -195.178553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.178553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.306566 (E_RNA)
where:
Base-Base interactions energy: -129.620
where: short stacking energy: -51.706
Base-Backbone interact. energy: -0.260
local terms energy: -65.426300
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -13.799
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -183.447008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.447008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.730121 (E_RNA)
where:
Base-Base interactions energy: -135.808
where: short stacking energy: -57.385
Base-Backbone interact. energy: -0.628
local terms energy: -55.294118
where:
bonds (distance) C4'-P energy: -9.160
bonds (distance) P-C4' energy: -11.167
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -13.503
Dist. restrs. and SS energy: 8.283 (S_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: 10
Temperature: 1.300000
Total energy: -192.085599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.085599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.499651 (E_RNA)
where:
Base-Base interactions energy: -136.987
where: short stacking energy: -55.766
Base-Backbone interact. energy: -0.028
local terms energy: -55.484663
where:
bonds (distance) C4'-P energy: -11.046
bonds (distance) P-C4' energy: -10.100
flat angles C4'-P-C4' energy: -8.828
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -15.060
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: 10, replica: 2
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -189.725818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.725818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.799840 (E_RNA)
where:
Base-Base interactions energy: -127.682
where: short stacking energy: -48.295
Base-Backbone interact. energy: -0.328
local terms energy: -61.789562
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -12.102
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -13.557
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -234.722945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.722945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.755784 (E_RNA)
where:
Base-Base interactions energy: -174.682
where: short stacking energy: -68.811
Base-Backbone interact. energy: -0.087
local terms energy: -59.986058
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -11.681
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -4.041
tors. eta vs tors. theta energy: -17.757
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: 7
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -220.634398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.634398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.728470 (E_RNA)
where:
Base-Base interactions energy: -152.767
where: short stacking energy: -63.227
Base-Backbone interact. energy: -0.005
local terms energy: -67.956579
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -8.493
tors. eta vs tors. theta energy: -18.558
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: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -211.720113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.720113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.956105 (E_RNA)
where:
Base-Base interactions energy: -146.763
where: short stacking energy: -58.173
Base-Backbone interact. energy: -0.001
local terms energy: -65.191921
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -10.338
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -17.314
Dist. restrs. and SS energy: 0.236 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -193.384490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.384490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.837981 (E_RNA)
where:
Base-Base interactions energy: -139.017
where: short stacking energy: -56.213
Base-Backbone interact. energy: -1.336
local terms energy: -59.484984
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -10.294
flat angles C4'-P-C4' energy: -10.022
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -17.711
Dist. restrs. and SS energy: 6.453 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -207.843292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.843292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.876816 (E_RNA)
where:
Base-Base interactions energy: -136.752
where: short stacking energy: -54.627
Base-Backbone interact. energy: -0.024
local terms energy: -71.100661
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -10.855
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -16.640
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -204.239662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.239662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.239662 (E_RNA)
where:
Base-Base interactions energy: -140.855
where: short stacking energy: -56.223
Base-Backbone interact. energy: -0.070
local terms energy: -63.315156
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -14.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -203.696235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.696235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.846373 (E_RNA)
where:
Base-Base interactions energy: -140.571
where: short stacking energy: -56.046
Base-Backbone interact. energy: -0.068
local terms energy: -63.206563
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -16.031
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -6.478
tors. eta vs tors. theta energy: -13.621
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: 11
Temperature: 1.250000
Total energy: -205.338826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.338826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.410966 (E_RNA)
where:
Base-Base interactions energy: -136.807
where: short stacking energy: -49.112
Base-Backbone interact. energy: -0.252
local terms energy: -68.351877
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -14.596
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: 4
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -178.888383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.888383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.418563 (E_RNA)
where:
Base-Base interactions energy: -131.534
where: short stacking energy: -52.807
Base-Backbone interact. energy: -0.161
local terms energy: -54.723251
where:
bonds (distance) C4'-P energy: -8.037
bonds (distance) P-C4' energy: -10.463
flat angles C4'-P-C4' energy: -13.195
flat angles P-C4'-P energy: -8.037
tors. eta vs tors. theta energy: -14.992
Dist. restrs. and SS energy: 7.530 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -187.830544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.830544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.041681 (E_RNA)
where:
Base-Base interactions energy: -134.600
where: short stacking energy: -53.352
Base-Backbone interact. energy: -0.233
local terms energy: -53.208580
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -8.858
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -11.606
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: 7
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -228.112170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.112170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.112458 (E_RNA)
where:
Base-Base interactions energy: -161.385
where: short stacking energy: -59.447
Base-Backbone interact. energy: -0.019
local terms energy: -66.707935
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -7.755
tors. eta vs tors. theta energy: -14.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -229.304098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.304098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.350762 (E_RNA)
where:
Base-Base interactions energy: -168.397
where: short stacking energy: -69.265
Base-Backbone interact. energy: -0.065
local terms energy: -60.888495
where:
bonds (distance) C4'-P energy: -11.351
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -4.812
tors. eta vs tors. theta energy: -14.371
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: 12
Temperature: 1.000000
Total energy: -208.516024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.516024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.642278 (E_RNA)
where:
Base-Base interactions energy: -153.708
where: short stacking energy: -57.932
Base-Backbone interact. energy: -0.398
local terms energy: -54.536074
where:
bonds (distance) C4'-P energy: -10.335
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -11.239
flat angles P-C4'-P energy: -5.978
tors. eta vs tors. theta energy: -13.178
Dist. restrs. and SS energy: 0.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -205.156469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.156469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.000640 (E_RNA)
where:
Base-Base interactions energy: -148.165
where: short stacking energy: -65.042
Base-Backbone interact. energy: -0.462
local terms energy: -64.373151
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -12.290
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -19.603
Dist. restrs. and SS energy: 7.844 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -206.341028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.341028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.358688 (E_RNA)
where:
Base-Base interactions energy: -139.009
where: short stacking energy: -54.743
Base-Backbone interact. energy: -0.211
local terms energy: -67.138183
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -9.747
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: -15.130
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -210.828741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.828741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.833839 (E_RNA)
where:
Base-Base interactions energy: -156.781
where: short stacking energy: -64.614
Base-Backbone interact. energy: -0.026
local terms energy: -54.027596
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -9.821
flat angles P-C4'-P energy: -5.145
tors. eta vs tors. theta energy: -12.786
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: 7, replica: 3
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -195.998717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.998717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.210899 (E_RNA)
where:
Base-Base interactions energy: -143.700
where: short stacking energy: -56.843
Base-Backbone interact. energy: -0.051
local terms energy: -52.459729
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -8.982
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -5.173
tors. eta vs tors. theta energy: -12.638
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: 9
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -197.742717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.742717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.744035 (E_RNA)
where:
Base-Base interactions energy: -138.966
where: short stacking energy: -50.346
Base-Backbone interact. energy: -0.002
local terms energy: -58.776250
where:
bonds (distance) C4'-P energy: -11.915
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -6.304
tors. eta vs tors. theta energy: -15.193
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -181.120628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.120628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.361234 (E_RNA)
where:
Base-Base interactions energy: -128.414
where: short stacking energy: -55.941
Base-Backbone interact. energy: -0.114
local terms energy: -61.833474
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -5.750
tors. eta vs tors. theta energy: -14.970
Dist. restrs. and SS energy: 9.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -190.808654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.808654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.821074 (E_RNA)
where:
Base-Base interactions energy: -135.794
where: short stacking energy: -52.634
Base-Backbone interact. energy: -0.083
local terms energy: -54.944385
where:
bonds (distance) C4'-P energy: -8.732
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -8.688
tors. eta vs tors. theta energy: -11.857
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: 7
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -223.241850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.241850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.259745 (E_RNA)
where:
Base-Base interactions energy: -151.959
where: short stacking energy: -66.812
Base-Backbone interact. energy: -0.046
local terms energy: -71.254518
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -20.834
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: 1
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -226.296633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.296633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.414248 (E_RNA)
where:
Base-Base interactions energy: -161.220
where: short stacking energy: -61.640
Base-Backbone interact. energy: -0.003
local terms energy: -65.191349
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -6.520
tors. eta vs tors. theta energy: -17.831
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: 8
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -230.849488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.849488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.849488 (E_RNA)
where:
Base-Base interactions energy: -173.887
where: short stacking energy: -69.787
Base-Backbone interact. energy: -0.011
local terms energy: -56.950967
where:
bonds (distance) C4'-P energy: -10.711
bonds (distance) P-C4' energy: -12.238
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -4.396
tors. eta vs tors. theta energy: -16.425
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -203.904317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.904317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.935561 (E_RNA)
where:
Base-Base interactions energy: -142.213
where: short stacking energy: -55.309
Base-Backbone interact. energy: -0.005
local terms energy: -61.717766
where:
bonds (distance) C4'-P energy: -9.709
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -13.706
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -203.508480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.508480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.468472 (E_RNA)
where:
Base-Base interactions energy: -145.414
where: short stacking energy: -63.627
Base-Backbone interact. energy: -0.006
local terms energy: -66.049011
where:
bonds (distance) C4'-P energy: -9.201
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -19.033
Dist. restrs. and SS energy: 7.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -207.959609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.959609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.026984 (E_RNA)
where:
Base-Base interactions energy: -145.573
where: short stacking energy: -63.808
Base-Backbone interact. energy: -0.052
local terms energy: -62.401886
where:
bonds (distance) C4'-P energy: -9.239
bonds (distance) P-C4' energy: -10.886
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -16.789
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -200.926168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.926168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.929696 (E_RNA)
where:
Base-Base interactions energy: -145.593
where: short stacking energy: -58.478
Base-Backbone interact. energy: -0.248
local terms energy: -55.089290
where:
bonds (distance) C4'-P energy: -8.302
bonds (distance) P-C4' energy: -11.108
flat angles C4'-P-C4' energy: -11.970
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -12.929
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -200.779781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.779781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.779781 (E_RNA)
where:
Base-Base interactions energy: -143.972
where: short stacking energy: -58.461
Base-Backbone interact. energy: -0.045
local terms energy: -56.762979
where:
bonds (distance) C4'-P energy: -8.811
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -11.833
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -178.734242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.734242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.798812 (E_RNA)
where:
Base-Base interactions energy: -126.248
where: short stacking energy: -53.351
Base-Backbone interact. energy: -1.424
local terms energy: -59.127182
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -9.999
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -11.990
Dist. restrs. and SS energy: 8.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -198.463566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.463566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.616681 (E_RNA)
where:
Base-Base interactions energy: -140.684
where: short stacking energy: -56.038
Base-Backbone interact. energy: 0.248
local terms energy: -58.180534
where:
bonds (distance) C4'-P energy: -7.292
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -11.386
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -16.389
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -218.774594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.774594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.795910 (E_RNA)
where:
Base-Base interactions energy: -160.397
where: short stacking energy: -64.389
Base-Backbone interact. energy: -0.003
local terms energy: -58.395195
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -10.366
flat angles C4'-P-C4' energy: -10.843
flat angles P-C4'-P energy: -6.800
tors. eta vs tors. theta energy: -17.199
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -227.722357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.722357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.893354 (E_RNA)
where:
Base-Base interactions energy: -166.782
where: short stacking energy: -64.831
Base-Backbone interact. energy: -0.047
local terms energy: -61.064842
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -10.833
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -4.376
tors. eta vs tors. theta energy: -16.603
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: 8
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -231.747640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.747640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.747640 (E_RNA)
where:
Base-Base interactions energy: -165.045
where: short stacking energy: -65.936
Base-Backbone interact. energy: -0.309
local terms energy: -66.393721
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -17.390
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -209.179095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.179095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.217015 (E_RNA)
where:
Base-Base interactions energy: -144.991
where: short stacking energy: -57.305
Base-Backbone interact. energy: -0.001
local terms energy: -64.225099
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -13.555
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -211.145641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.145641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.198226 (E_RNA)
where:
Base-Base interactions energy: -154.825
where: short stacking energy: -58.734
Base-Backbone interact. energy: -0.012
local terms energy: -56.361992
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -9.551
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -4.100
tors. eta vs tors. theta energy: -15.675
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -196.158130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.158130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.212247 (E_RNA)
where:
Base-Base interactions energy: -143.803
where: short stacking energy: -59.048
Base-Backbone interact. energy: -0.101
local terms energy: -60.307470
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -11.472
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -14.027
Dist. restrs. and SS energy: 8.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -202.611504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.611504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.637703 (E_RNA)
where:
Base-Base interactions energy: -143.732
where: short stacking energy: -51.256
Base-Backbone interact. energy: -0.029
local terms energy: -58.876307
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -13.389
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: 9
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -200.658195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.658195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.722796 (E_RNA)
where:
Base-Base interactions energy: -141.848
where: short stacking energy: -60.325
Base-Backbone interact. energy: -0.217
local terms energy: -58.658731
where:
bonds (distance) C4'-P energy: -10.390
bonds (distance) P-C4' energy: -12.038
flat angles C4'-P-C4' energy: -10.756
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -14.511
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: 2
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -195.042931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.042931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.042931 (E_RNA)
where:
Base-Base interactions energy: -137.017
where: short stacking energy: -51.964
Base-Backbone interact. energy: -0.019
local terms energy: -58.006573
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -11.780
flat angles C4'-P-C4' energy: -10.033
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -13.376
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -172.569545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.569545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.979616 (E_RNA)
where:
Base-Base interactions energy: -126.002
where: short stacking energy: -53.165
Base-Backbone interact. energy: -1.100
local terms energy: -51.877885
where:
bonds (distance) C4'-P energy: -10.628
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -6.183
flat angles P-C4'-P energy: -6.529
tors. eta vs tors. theta energy: -14.411
Dist. restrs. and SS energy: 6.410 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -233.982937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.982937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.982937 (E_RNA)
where:
Base-Base interactions energy: -171.049
where: short stacking energy: -68.914
Base-Backbone interact. energy: -0.046
local terms energy: -62.887835
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -12.270
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -3.139
tors. eta vs tors. theta energy: -19.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -216.338238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.338238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.388441 (E_RNA)
where:
Base-Base interactions energy: -153.113
where: short stacking energy: -64.896
Base-Backbone interact. energy: -0.095
local terms energy: -63.180540
where:
bonds (distance) C4'-P energy: -10.299
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -9.938
tors. eta vs tors. theta energy: -15.153
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -226.716156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.716156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.794659 (E_RNA)
where:
Base-Base interactions energy: -170.295
where: short stacking energy: -70.420
Base-Backbone interact. energy: -0.009
local terms energy: -56.490764
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -12.342
flat angles C4'-P-C4' energy: -10.286
flat angles P-C4'-P energy: -4.298
tors. eta vs tors. theta energy: -17.305
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: 3
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -213.769180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.769180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.899544 (E_RNA)
where:
Base-Base interactions energy: -148.498
where: short stacking energy: -62.308
Base-Backbone interact. energy: -0.005
local terms energy: -65.397070
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -10.507
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -18.219
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: 6
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -202.349453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.349453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.366049 (E_RNA)
where:
Base-Base interactions energy: -142.493
where: short stacking energy: -60.102
Base-Backbone interact. energy: -0.595
local terms energy: -59.278707
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -3.587
tors. eta vs tors. theta energy: -14.976
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -207.182071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.182071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.272063 (E_RNA)
where:
Base-Base interactions energy: -153.819
where: short stacking energy: -60.479
Base-Backbone interact. energy: -0.012
local terms energy: -53.441366
where:
bonds (distance) C4'-P energy: -5.260
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -5.329
tors. eta vs tors. theta energy: -15.867
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: 5
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -181.113550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.113550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.530348 (E_RNA)
where:
Base-Base interactions energy: -126.545
where: short stacking energy: -54.547
Base-Backbone interact. energy: -1.021
local terms energy: -59.964176
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -9.445
tors. eta vs tors. theta energy: -11.410
Dist. restrs. and SS energy: 6.417 (S_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: 15
Temperature: 1.250000
Total energy: -199.200411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.200411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.426890 (E_RNA)
where:
Base-Base interactions energy: -135.908
where: short stacking energy: -53.454
Base-Backbone interact. energy: -0.011
local terms energy: -63.506940
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -5.350
tors. eta vs tors. theta energy: -15.432
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: 9
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -194.943849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.943849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.148971 (E_RNA)
where:
Base-Base interactions energy: -139.447
where: short stacking energy: -58.334
Base-Backbone interact. energy: -0.001
local terms energy: -55.701705
where:
bonds (distance) C4'-P energy: -6.869
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -15.612
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: 15
Temperature: 1.350000
Total energy: -179.378125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.378125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.158176 (E_RNA)
where:
Base-Base interactions energy: -131.147
where: short stacking energy: -53.052
Base-Backbone interact. energy: -0.008
local terms energy: -56.002711
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -7.275
flat angles C4'-P-C4' energy: -14.095
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -13.652
Dist. restrs. and SS energy: 7.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -223.827184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.827184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.901770 (E_RNA)
where:
Base-Base interactions energy: -159.513
where: short stacking energy: -64.450
Base-Backbone interact. energy: -0.000
local terms energy: -64.387941
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -18.289
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -227.762313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.762313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.836697 (E_RNA)
where:
Base-Base interactions energy: -168.235
where: short stacking energy: -64.840
Base-Backbone interact. energy: -0.053
local terms energy: -59.548349
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -11.194
flat angles P-C4'-P energy: -3.923
tors. eta vs tors. theta energy: -16.777
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: 1
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -234.821503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.821503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.821503 (E_RNA)
where:
Base-Base interactions energy: -171.768
where: short stacking energy: -68.587
Base-Backbone interact. energy: -0.018
local terms energy: -63.035788
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -2.312
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: 4, replica: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -210.735802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.735802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.830835 (E_RNA)
where:
Base-Base interactions energy: -144.134
where: short stacking energy: -58.553
Base-Backbone interact. energy: -0.054
local terms energy: -66.642165
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -13.485
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: 10
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -211.516044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.516044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.533292 (E_RNA)
where:
Base-Base interactions energy: -157.903
where: short stacking energy: -64.845
Base-Backbone interact. energy: 0.569
local terms energy: -54.199649
where:
bonds (distance) C4'-P energy: -8.327
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -5.485
tors. eta vs tors. theta energy: -15.287
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: 6
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -213.316564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.316564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.318168 (E_RNA)
where:
Base-Base interactions energy: -154.936
where: short stacking energy: -57.538
Base-Backbone interact. energy: -0.299
local terms energy: -58.082789
where:
bonds (distance) C4'-P energy: -8.334
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -10.425
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -16.828
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -202.856979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.856979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.945603 (E_RNA)
where:
Base-Base interactions energy: -144.276
where: short stacking energy: -57.546
Base-Backbone interact. energy: -0.001
local terms energy: -58.669018
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -13.380
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -5.804
tors. eta vs tors. theta energy: -14.444
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -180.941707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.941707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.441050 (E_RNA)
where:
Base-Base interactions energy: -126.936
where: short stacking energy: -50.757
Base-Backbone interact. energy: -0.080
local terms energy: -61.425330
where:
bonds (distance) C4'-P energy: -10.444
bonds (distance) P-C4' energy: -10.753
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -15.421
Dist. restrs. and SS energy: 7.499 (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: 4
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -182.752598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.752598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.340830 (E_RNA)
where:
Base-Base interactions energy: -136.108
where: short stacking energy: -55.538
Base-Backbone interact. energy: -0.025
local terms energy: -52.207009
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -5.610
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -5.788
tors. eta vs tors. theta energy: -15.510
Dist. restrs. and SS energy: 5.588 (S_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: 16
Temperature: 1.350000
Total energy: -195.098361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.098361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.178323 (E_RNA)
where:
Base-Base interactions energy: -132.440
where: short stacking energy: -54.976
Base-Backbone interact. energy: -0.267
local terms energy: -62.471523
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -12.783
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -227.974115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.974115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.100730 (E_RNA)
where:
Base-Base interactions energy: -161.364
where: short stacking energy: -61.540
Base-Backbone interact. energy: -0.813
local terms energy: -65.923753
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -13.372
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: -16.768
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: 2, replica: 1
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -232.844486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.844486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.991576 (E_RNA)
where:
Base-Base interactions energy: -166.880
where: short stacking energy: -65.746
Base-Backbone interact. energy: -0.003
local terms energy: -66.108275
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -3.992
tors. eta vs tors. theta energy: -17.133
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -212.657647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.657647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.749257 (E_RNA)
where:
Base-Base interactions energy: -154.748
where: short stacking energy: -58.407
Base-Backbone interact. energy: 0.592
local terms energy: -58.593031
where:
bonds (distance) C4'-P energy: -12.669
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -7.702
tors. eta vs tors. theta energy: -12.665
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: 10
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -212.240457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.240457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.348085 (E_RNA)
where:
Base-Base interactions energy: -147.962
where: short stacking energy: -65.983
Base-Backbone interact. energy: -0.240
local terms energy: -64.146303
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: -5.949
tors. eta vs tors. theta energy: -16.537
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: 3
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -206.928325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.928325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.075368 (E_RNA)
where:
Base-Base interactions energy: -141.738
where: short stacking energy: -56.582
Base-Backbone interact. energy: -0.066
local terms energy: -65.271552
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -16.203
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -210.902333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.902333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.949950 (E_RNA)
where:
Base-Base interactions energy: -158.468
where: short stacking energy: -67.848
Base-Backbone interact. energy: -0.752
local terms energy: -51.729042
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -9.244
flat angles C4'-P-C4' energy: -9.017
flat angles P-C4'-P energy: -3.088
tors. eta vs tors. theta energy: -17.780
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -198.600065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.600065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.866607 (E_RNA)
where:
Base-Base interactions energy: -137.384
where: short stacking energy: -58.012
Base-Backbone interact. energy: -0.067
local terms energy: -61.414697
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -10.424
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -16.005
Dist. restrs. and SS energy: 0.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -187.704498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.704498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.436256 (E_RNA)
where:
Base-Base interactions energy: -144.834
where: short stacking energy: -64.172
Base-Backbone interact. energy: -0.614
local terms energy: -49.988577
where:
bonds (distance) C4'-P energy: -4.680
bonds (distance) P-C4' energy: -8.302
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -17.367
Dist. restrs. and SS energy: 7.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -180.418127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.418127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.511320 (E_RNA)
where:
Base-Base interactions energy: -131.909
where: short stacking energy: -56.057
Base-Backbone interact. energy: -0.071
local terms energy: -56.532049
where:
bonds (distance) C4'-P energy: -9.205
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -11.102
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -13.854
Dist. restrs. and SS energy: 8.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -202.940818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.940818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.091547 (E_RNA)
where:
Base-Base interactions energy: -138.617
where: short stacking energy: -57.434
Base-Backbone interact. energy: -0.131
local terms energy: -64.343949
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: -15.323
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: 1
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -233.642310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.642310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.642938 (E_RNA)
where:
Base-Base interactions energy: -169.499
where: short stacking energy: -67.058
Base-Backbone interact. energy: -0.014
local terms energy: -64.130235
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -17.244
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -219.231570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.231570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.262990 (E_RNA)
where:
Base-Base interactions energy: -151.813
where: short stacking energy: -64.549
Base-Backbone interact. energy: -0.017
local terms energy: -67.432950
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -14.416
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: 10
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -214.307584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.307584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.479387 (E_RNA)
where:
Base-Base interactions energy: -155.047
where: short stacking energy: -63.723
Base-Backbone interact. energy: -0.024
local terms energy: -59.408260
where:
bonds (distance) C4'-P energy: -11.152
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -12.660
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: 18
Temperature: 1.050000
Total energy: -210.086879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.086879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.138901 (E_RNA)
where:
Base-Base interactions energy: -142.357
where: short stacking energy: -61.534
Base-Backbone interact. energy: -0.044
local terms energy: -67.737768
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -15.800
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: 6
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -213.496091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.496091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.496091 (E_RNA)
where:
Base-Base interactions energy: -146.505
where: short stacking energy: -62.561
Base-Backbone interact. energy: -0.000
local terms energy: -66.990980
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -17.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -198.252175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.252175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.267575 (E_RNA)
where:
Base-Base interactions energy: -136.178
where: short stacking energy: -55.014
Base-Backbone interact. energy: -0.003
local terms energy: -62.087089
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -14.080
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: 18
Temperature: 1.200000
Total energy: -188.729806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.729806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.561041 (E_RNA)
where:
Base-Base interactions energy: -137.587
where: short stacking energy: -54.130
Base-Backbone interact. energy: -0.008
local terms energy: -57.966606
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -10.780
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -5.832
tors. eta vs tors. theta energy: -16.119
Dist. restrs. and SS energy: 6.831 (S_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: 18
Temperature: 1.250000
Total energy: -201.430293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.430293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.588228 (E_RNA)
where:
Base-Base interactions energy: -144.049
where: short stacking energy: -59.874
Base-Backbone interact. energy: -0.015
local terms energy: -57.524955
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -10.046
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -7.020
tors. eta vs tors. theta energy: -17.138
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -193.844633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.844633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.902175 (E_RNA)
where:
Base-Base interactions energy: -136.776
where: short stacking energy: -55.870
Base-Backbone interact. energy: -0.031
local terms energy: -57.095685
where:
bonds (distance) C4'-P energy: -6.822
bonds (distance) P-C4' energy: -10.235
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -16.098
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -181.972264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.972264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.726977 (E_RNA)
where:
Base-Base interactions energy: -131.428
where: short stacking energy: -59.908
Base-Backbone interact. energy: -0.110
local terms energy: -59.189592
where:
bonds (distance) C4'-P energy: -9.972
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -14.572
Dist. restrs. and SS energy: 8.755 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -237.710812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.710812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.804009 (E_RNA)
where:
Base-Base interactions energy: -173.222
where: short stacking energy: -72.439
Base-Backbone interact. energy: -0.353
local terms energy: -64.228790
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -10.063
flat angles P-C4'-P energy: -5.374
tors. eta vs tors. theta energy: -18.888
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: 10
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -226.447757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.447757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.447757 (E_RNA)
where:
Base-Base interactions energy: -161.205
where: short stacking energy: -66.119
Base-Backbone interact. energy: -0.360
local terms energy: -64.882525
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -7.702
tors. eta vs tors. theta energy: -13.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -217.874925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.874925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.053126 (E_RNA)
where:
Base-Base interactions energy: -156.940
where: short stacking energy: -63.800
Base-Backbone interact. energy: -0.055
local terms energy: -61.057369
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -6.247
tors. eta vs tors. theta energy: -15.493
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: 6
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -209.261877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.261877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.345561 (E_RNA)
where:
Base-Base interactions energy: -141.630
where: short stacking energy: -56.837
Base-Backbone interact. energy: -0.001
local terms energy: -67.715024
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -6.615
tors. eta vs tors. theta energy: -17.321
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -211.215265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.215265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.373071 (E_RNA)
where:
Base-Base interactions energy: -146.605
where: short stacking energy: -65.909
Base-Backbone interact. energy: -0.008
local terms energy: -64.759946
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: -16.960
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -201.070987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.070987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.099857 (E_RNA)
where:
Base-Base interactions energy: -139.760
where: short stacking energy: -52.885
Base-Backbone interact. energy: -0.021
local terms energy: -61.319168
where:
bonds (distance) C4'-P energy: -8.468
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -15.779
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: 4
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -188.136540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.136540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.296353 (E_RNA)
where:
Base-Base interactions energy: -143.640
where: short stacking energy: -57.960
Base-Backbone interact. energy: -0.001
local terms energy: -53.655465
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -2.832
flat angles C4'-P-C4' energy: -13.283
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -16.937
Dist. restrs. and SS energy: 9.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -198.922140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.922140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.991439 (E_RNA)
where:
Base-Base interactions energy: -137.812
where: short stacking energy: -56.129
Base-Backbone interact. energy: -0.222
local terms energy: -60.957196
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -13.195
flat angles P-C4'-P energy: -6.380
tors. eta vs tors. theta energy: -13.181
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: 2
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -191.509932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.509932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.580336 (E_RNA)
where:
Base-Base interactions energy: -134.537
where: short stacking energy: -51.635
Base-Backbone interact. energy: -0.064
local terms energy: -56.979006
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -5.636
tors. eta vs tors. theta energy: -13.714
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -176.634092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.634092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.676510 (E_RNA)
where:
Base-Base interactions energy: -130.950
where: short stacking energy: -54.702
Base-Backbone interact. energy: -0.097
local terms energy: -52.629806
where:
bonds (distance) C4'-P energy: -8.476
bonds (distance) P-C4' energy: -10.263
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -6.754
tors. eta vs tors. theta energy: -14.078
Dist. restrs. and SS energy: 7.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -217.379340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.379340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.428255 (E_RNA)
where:
Base-Base interactions energy: -146.376
where: short stacking energy: -61.610
Base-Backbone interact. energy: -0.041
local terms energy: -71.011406
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -18.410
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: 20
Temperature: 0.950000
Total energy: -233.614626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.614626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.627310 (E_RNA)
where:
Base-Base interactions energy: -167.098
where: short stacking energy: -64.452
Base-Backbone interact. energy: -0.006
local terms energy: -66.522870
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -5.053
tors. eta vs tors. theta energy: -18.034
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -202.580466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.580466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.643484 (E_RNA)
where:
Base-Base interactions energy: -139.935
where: short stacking energy: -54.526
Base-Backbone interact. energy: -0.037
local terms energy: -62.671605
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -8.606
tors. eta vs tors. theta energy: -12.769
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -219.777960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.777960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.867130 (E_RNA)
where:
Base-Base interactions energy: -159.683
where: short stacking energy: -60.164
Base-Backbone interact. energy: -0.004
local terms energy: -60.179715
where:
bonds (distance) C4'-P energy: -11.882
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -14.314
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: 7
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -210.990319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.990319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.082565 (E_RNA)
where:
Base-Base interactions energy: -151.243
where: short stacking energy: -60.479
Base-Backbone interact. energy: -0.500
local terms energy: -59.339659
where:
bonds (distance) C4'-P energy: -8.468
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: -14.715
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -208.503575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.503575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.548190 (E_RNA)
where:
Base-Base interactions energy: -144.096
where: short stacking energy: -56.950
Base-Backbone interact. energy: 0.308
local terms energy: -64.759919
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -12.520
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -13.622
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: 20
Temperature: 1.200000
Total energy: -210.768866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.768866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.978021 (E_RNA)
where:
Base-Base interactions energy: -150.164
where: short stacking energy: -60.710
Base-Backbone interact. energy: -0.009
local terms energy: -60.805209
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -4.605
tors. eta vs tors. theta energy: -15.290
Dist. restrs. and SS energy: 0.209 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -174.530737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.530737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.041173 (E_RNA)
where:
Base-Base interactions energy: -129.244
where: short stacking energy: -58.965
Base-Backbone interact. energy: -0.290
local terms energy: -52.507234
where:
bonds (distance) C4'-P energy: -9.151
bonds (distance) P-C4' energy: -7.483
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -14.753
Dist. restrs. and SS energy: 7.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -201.489441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.489441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.571311 (E_RNA)
where:
Base-Base interactions energy: -141.327
where: short stacking energy: -56.560
Base-Backbone interact. energy: -0.239
local terms energy: -60.005309
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -11.072
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -6.923
tors. eta vs tors. theta energy: -16.076
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -173.167224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.167224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.769475 (E_RNA)
where:
Base-Base interactions energy: -123.154
where: short stacking energy: -52.079
Base-Backbone interact. energy: -0.618
local terms energy: -57.996992
where:
bonds (distance) C4'-P energy: -5.768
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -8.149
tors. eta vs tors. theta energy: -13.989
Dist. restrs. and SS energy: 8.602 (S_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: 21
Temperature: 0.900000
Total energy: -226.141815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.141815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.236581 (E_RNA)
where:
Base-Base interactions energy: -158.789
where: short stacking energy: -67.583
Base-Backbone interact. energy: -0.100
local terms energy: -67.346919
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -15.260
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -224.651331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.651331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.706922 (E_RNA)
where:
Base-Base interactions energy: -163.473
where: short stacking energy: -68.182
Base-Backbone interact. energy: -0.141
local terms energy: -61.093019
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -1.130
tors. eta vs tors. theta energy: -19.750
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -215.940516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.940516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.041093 (E_RNA)
where:
Base-Base interactions energy: -146.848
where: short stacking energy: -60.690
Base-Backbone interact. energy: -0.000
local terms energy: -69.192764
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -17.985
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -216.428626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.428626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.446308 (E_RNA)
where:
Base-Base interactions energy: -148.538
where: short stacking energy: -58.523
Base-Backbone interact. energy: -0.043
local terms energy: -67.865606
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -14.539
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: 8
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -222.462564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.462564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.744549 (E_RNA)
where:
Base-Base interactions energy: -156.974
where: short stacking energy: -56.918
Base-Backbone interact. energy: 0.034
local terms energy: -65.804740
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -6.053
tors. eta vs tors. theta energy: -17.909
Dist. restrs. and SS energy: 0.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -204.288891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.288891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.390877 (E_RNA)
where:
Base-Base interactions energy: -145.473
where: short stacking energy: -53.085
Base-Backbone interact. energy: -0.618
local terms energy: -58.300232
where:
bonds (distance) C4'-P energy: -9.971
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -5.988
tors. eta vs tors. theta energy: -13.494
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -199.011827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.011827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.050951 (E_RNA)
where:
Base-Base interactions energy: -135.247
where: short stacking energy: -51.181
Base-Backbone interact. energy: -0.076
local terms energy: -63.728106
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -12.521
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: 2
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -197.291176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.291176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.354132 (E_RNA)
where:
Base-Base interactions energy: -139.933
where: short stacking energy: -56.269
Base-Backbone interact. energy: -0.069
local terms energy: -57.352684
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -2.953
tors. eta vs tors. theta energy: -16.129
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -177.407605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.407605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.065028 (E_RNA)
where:
Base-Base interactions energy: -133.971
where: short stacking energy: -59.311
Base-Backbone interact. energy: -0.001
local terms energy: -52.093402
where:
bonds (distance) C4'-P energy: -4.112
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -13.579
Dist. restrs. and SS energy: 8.657 (S_DIST_RNA)
chem. 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: -168.496238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.496238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.748732 (E_RNA)
where:
Base-Base interactions energy: -122.025
where: short stacking energy: -51.272
Base-Backbone interact. energy: -0.000
local terms energy: -54.723281
where:
bonds (distance) C4'-P energy: -8.658
bonds (distance) P-C4' energy: -11.429
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -9.450
tors. eta vs tors. theta energy: -12.117
Dist. restrs. and SS energy: 8.252 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -237.218988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.218988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.253220 (E_RNA)
where:
Base-Base interactions energy: -170.491
where: short stacking energy: -66.580
Base-Backbone interact. energy: -0.031
local terms energy: -66.731162
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -6.695
tors. eta vs tors. theta energy: -17.651
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: 10
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -215.104345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.104345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.114149 (E_RNA)
where:
Base-Base interactions energy: -150.882
where: short stacking energy: -65.512
Base-Backbone interact. energy: -0.008
local terms energy: -64.224619
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: -17.825
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -225.082741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.082741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.312160 (E_RNA)
where:
Base-Base interactions energy: -167.329
where: short stacking energy: -65.343
Base-Backbone interact. energy: -0.081
local terms energy: -57.902901
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -9.140
flat angles P-C4'-P energy: -2.664
tors. eta vs tors. theta energy: -17.511
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: 4, replica: 6
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -217.419128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.419128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.434963 (E_RNA)
where:
Base-Base interactions energy: -156.183
where: short stacking energy: -61.705
Base-Backbone interact. energy: -0.007
local terms energy: -61.244962
where:
bonds (distance) C4'-P energy: -12.652
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: -15.788
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -211.132008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.132008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.277574 (E_RNA)
where:
Base-Base interactions energy: -151.968
where: short stacking energy: -64.586
Base-Backbone interact. energy: -0.001
local terms energy: -59.308680
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -7.235
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -15.650
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -199.453204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.453204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.456591 (E_RNA)
where:
Base-Base interactions energy: -143.787
where: short stacking energy: -56.653
Base-Backbone interact. energy: 0.083
local terms energy: -55.752075
where:
bonds (distance) C4'-P energy: -9.891
bonds (distance) P-C4' energy: -11.649
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -12.338
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -206.484403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.484403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.484403 (E_RNA)
where:
Base-Base interactions energy: -141.070
where: short stacking energy: -56.004
Base-Backbone interact. energy: -0.857
local terms energy: -64.557164
where:
bonds (distance) C4'-P energy: -11.405
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -14.448
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -195.367936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.367936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.439112 (E_RNA)
where:
Base-Base interactions energy: -132.765
where: short stacking energy: -52.924
Base-Backbone interact. energy: -0.009
local terms energy: -62.665042
where:
bonds (distance) C4'-P energy: -8.472
bonds (distance) P-C4' energy: -13.340
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -15.978
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -180.452741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.452741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.142210 (E_RNA)
where:
Base-Base interactions energy: -135.315
where: short stacking energy: -57.190
Base-Backbone interact. energy: -0.053
local terms energy: -52.773586
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -9.203
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -10.758
Dist. restrs. and SS energy: 7.689 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -172.513391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.513391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.192080 (E_RNA)
where:
Base-Base interactions energy: -124.880
where: short stacking energy: -55.296
Base-Backbone interact. energy: -0.224
local terms energy: -54.088670
where:
bonds (distance) C4'-P energy: -7.811
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -9.385
flat angles P-C4'-P energy: -6.866
tors. eta vs tors. theta energy: -15.910
Dist. restrs. and SS energy: 6.679 (S_DIST_RNA)
chem. 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: -235.695320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.695320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.695320 (E_RNA)
where:
Base-Base interactions energy: -178.143
where: short stacking energy: -72.548
Base-Backbone interact. energy: -0.594
local terms energy: -56.958003
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -9.872
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -4.484
tors. eta vs tors. theta energy: -18.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -231.167995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.167995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.173692 (E_RNA)
where:
Base-Base interactions energy: -165.889
where: short stacking energy: -63.851
Base-Backbone interact. energy: -0.005
local terms energy: -65.279635
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -5.537
tors. eta vs tors. theta energy: -19.145
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -208.958941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.958941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.222453 (E_RNA)
where:
Base-Base interactions energy: -141.197
where: short stacking energy: -54.801
Base-Backbone interact. energy: -0.262
local terms energy: -67.763670
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -10.953
tors. eta vs tors. theta energy: -14.278
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: 4, replica: 9
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -220.808986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.808986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.808986 (E_RNA)
where:
Base-Base interactions energy: -159.231
where: short stacking energy: -65.961
Base-Backbone interact. energy: -0.281
local terms energy: -61.296999
where:
bonds (distance) C4'-P energy: -9.700
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -13.500
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -212.162735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.162735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.202370 (E_RNA)
where:
Base-Base interactions energy: -145.740
where: short stacking energy: -66.272
Base-Backbone interact. energy: -0.002
local terms energy: -66.460307
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -17.066
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -213.673025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.673025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.903174 (E_RNA)
where:
Base-Base interactions energy: -156.281
where: short stacking energy: -62.880
Base-Backbone interact. energy: -0.007
local terms energy: -57.615427
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -9.900
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -15.437
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -203.341147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.341147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.452907 (E_RNA)
where:
Base-Base interactions energy: -136.934
where: short stacking energy: -55.684
Base-Backbone interact. energy: -0.276
local terms energy: -66.242120
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -13.698
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -197.236587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.236587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.274422 (E_RNA)
where:
Base-Base interactions energy: -136.342
where: short stacking energy: -54.261
Base-Backbone interact. energy: -0.193
local terms energy: -60.739548
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -13.222
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -173.840521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.840521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.211053 (E_RNA)
where:
Base-Base interactions energy: -124.892
where: short stacking energy: -49.701
Base-Backbone interact. energy: -1.444
local terms energy: -54.875476
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -6.896
flat angles C4'-P-C4' energy: -12.129
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: -14.407
Dist. restrs. and SS energy: 7.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -179.160096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.160096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.677687 (E_RNA)
where:
Base-Base interactions energy: -135.655
where: short stacking energy: -56.315
Base-Backbone interact. energy: -0.664
local terms energy: -50.358415
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -5.822
flat angles C4'-P-C4' energy: -9.508
flat angles P-C4'-P energy: -4.524
tors. eta vs tors. theta energy: -17.227
Dist. restrs. and SS energy: 7.518 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -222.617807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.617807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.617807 (E_RNA)
where:
Base-Base interactions energy: -166.401
where: short stacking energy: -64.668
Base-Backbone interact. energy: 0.454
local terms energy: -56.669957
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -7.897
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -5.490
tors. eta vs tors. theta energy: -13.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -236.742932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.742932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.830148 (E_RNA)
where:
Base-Base interactions energy: -170.603
where: short stacking energy: -72.751
Base-Backbone interact. energy: -0.322
local terms energy: -65.905084
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -17.305
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: 10
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -213.911768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.911768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.911768 (E_RNA)
where:
Base-Base interactions energy: -143.651
where: short stacking energy: -56.953
Base-Backbone interact. energy: -0.003
local terms energy: -70.257969
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -10.371
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -19.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -212.153922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.153922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.220786 (E_RNA)
where:
Base-Base interactions energy: -155.130
where: short stacking energy: -61.231
Base-Backbone interact. energy: -0.011
local terms energy: -57.079807
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -10.890
flat angles P-C4'-P energy: -7.714
tors. eta vs tors. theta energy: -11.884
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -205.062873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.062873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.247947 (E_RNA)
where:
Base-Base interactions energy: -141.033
where: short stacking energy: -59.043
Base-Backbone interact. energy: -0.376
local terms energy: -63.839055
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -12.099
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -16.649
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: 6
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -205.899802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.899802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.976589 (E_RNA)
where:
Base-Base interactions energy: -151.721
where: short stacking energy: -60.314
Base-Backbone interact. energy: -0.035
local terms energy: -54.220593
where:
bonds (distance) C4'-P energy: -10.121
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -12.130
flat angles P-C4'-P energy: -4.116
tors. eta vs tors. theta energy: -13.039
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -201.026208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.026208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.045869 (E_RNA)
where:
Base-Base interactions energy: -144.132
where: short stacking energy: -60.070
Base-Backbone interact. energy: -0.107
local terms energy: -56.807198
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -11.148
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -11.679
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -201.096918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.096918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.182061 (E_RNA)
where:
Base-Base interactions energy: -138.386
where: short stacking energy: -56.654
Base-Backbone interact. energy: -0.186
local terms energy: -62.610289
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -11.722
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -13.647
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -174.313097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.313097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.453257 (E_RNA)
where:
Base-Base interactions energy: -127.644
where: short stacking energy: -49.596
Base-Backbone interact. energy: -0.170
local terms energy: -55.638494
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -8.262
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -14.083
Dist. restrs. and SS energy: 9.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -176.616785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.616785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.618935 (E_RNA)
where:
Base-Base interactions energy: -133.702
where: short stacking energy: -56.134
Base-Backbone interact. energy: -0.446
local terms energy: -50.470514
where:
bonds (distance) C4'-P energy: -8.120
bonds (distance) P-C4' energy: -6.794
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -12.599
Dist. restrs. and SS energy: 8.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -231.341069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.341069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.358721 (E_RNA)
where:
Base-Base interactions energy: -171.104
where: short stacking energy: -67.693
Base-Backbone interact. energy: -0.001
local terms energy: -60.254360
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -3.366
tors. eta vs tors. theta energy: -16.417
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: 1
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -230.774554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.774554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.872249 (E_RNA)
where:
Base-Base interactions energy: -173.125
where: short stacking energy: -70.018
Base-Backbone interact. energy: -0.208
local terms energy: -57.539733
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -11.322
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: 0.313
tors. eta vs tors. theta energy: -19.539
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -222.447329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.447329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.447329 (E_RNA)
where:
Base-Base interactions energy: -167.091
where: short stacking energy: -64.292
Base-Backbone interact. energy: -0.297
local terms energy: -55.059255
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -10.255
flat angles P-C4'-P energy: -3.879
tors. eta vs tors. theta energy: -15.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -232.248909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.248909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.308763 (E_RNA)
where:
Base-Base interactions energy: -167.314
where: short stacking energy: -68.123
Base-Backbone interact. energy: -0.416
local terms energy: -64.579040
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -11.781
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -16.787
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -205.926971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.926971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.962857 (E_RNA)
where:
Base-Base interactions energy: -152.167
where: short stacking energy: -60.010
Base-Backbone interact. energy: -0.012
local terms energy: -53.784397
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -6.872
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -5.516
tors. eta vs tors. theta energy: -17.213
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: 3
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -207.152504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.152504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.178356 (E_RNA)
where:
Base-Base interactions energy: -152.026
where: short stacking energy: -60.660
Base-Backbone interact. energy: -0.006
local terms energy: -55.145618
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -10.343
flat angles P-C4'-P energy: -4.011
tors. eta vs tors. theta energy: -13.593
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: 6
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -203.305860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.305860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.436813 (E_RNA)
where:
Base-Base interactions energy: -149.133
where: short stacking energy: -63.618
Base-Backbone interact. energy: 0.651
local terms energy: -54.955131
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -5.965
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -4.628
tors. eta vs tors. theta energy: -17.795
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -190.720677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.720677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.717439 (E_RNA)
where:
Base-Base interactions energy: -138.216
where: short stacking energy: -61.701
Base-Backbone interact. energy: -0.535
local terms energy: -59.966148
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -10.518
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -17.317
Dist. restrs. and SS energy: 7.997 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -200.809883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.809883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.858426 (E_RNA)
where:
Base-Base interactions energy: -140.622
where: short stacking energy: -56.760
Base-Backbone interact. energy: -0.026
local terms energy: -60.209713
where:
bonds (distance) C4'-P energy: -9.950
bonds (distance) P-C4' energy: -11.141
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -9.634
tors. eta vs tors. theta energy: -14.695
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -165.689585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.689585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.034433 (E_RNA)
where:
Base-Base interactions energy: -126.147
where: short stacking energy: -55.034
Base-Backbone interact. energy: -0.215
local terms energy: -46.672021
where:
bonds (distance) C4'-P energy: -10.456
bonds (distance) P-C4' energy: -10.339
flat angles C4'-P-C4' energy: -7.194
flat angles P-C4'-P energy: -3.796
tors. eta vs tors. theta energy: -14.887
Dist. restrs. and SS energy: 7.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -233.089068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.089068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.146919 (E_RNA)
where:
Base-Base interactions energy: -170.357
where: short stacking energy: -70.163
Base-Backbone interact. energy: 1.498
local terms energy: -64.287484
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -6.670
tors. eta vs tors. theta energy: -18.868
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -227.449153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.449153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.463952 (E_RNA)
where:
Base-Base interactions energy: -164.372
where: short stacking energy: -67.135
Base-Backbone interact. energy: -0.006
local terms energy: -63.085871
where:
bonds (distance) C4'-P energy: -13.786
bonds (distance) P-C4' energy: -10.576
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -6.157
tors. eta vs tors. theta energy: -18.727
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -221.441072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.441072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.502019 (E_RNA)
where:
Base-Base interactions energy: -163.969
where: short stacking energy: -65.194
Base-Backbone interact. energy: -0.004
local terms energy: -57.529117
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -12.441
flat angles P-C4'-P energy: -2.434
tors. eta vs tors. theta energy: -17.301
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -228.038267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.038267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.101783 (E_RNA)
where:
Base-Base interactions energy: -169.531
where: short stacking energy: -68.458
Base-Backbone interact. energy: -0.005
local terms energy: -58.565453
where:
bonds (distance) C4'-P energy: -9.769
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -5.014
tors. eta vs tors. theta energy: -18.060
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -217.566561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.566561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.695503 (E_RNA)
where:
Base-Base interactions energy: -155.455
where: short stacking energy: -62.371
Base-Backbone interact. energy: -0.156
local terms energy: -62.084617
where:
bonds (distance) C4'-P energy: -9.139
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -12.357
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -19.119
Dist. restrs. and SS energy: 0.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -205.839102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.839102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.981364 (E_RNA)
where:
Base-Base interactions energy: -144.983
where: short stacking energy: -65.077
Base-Backbone interact. energy: -0.002
local terms energy: -60.997027
where:
bonds (distance) C4'-P energy: -9.300
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -18.256
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -197.384016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.384016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.728849 (E_RNA)
where:
Base-Base interactions energy: -138.798
where: short stacking energy: -55.663
Base-Backbone interact. energy: -0.121
local terms energy: -58.810370
where:
bonds (distance) C4'-P energy: -11.276
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -12.666
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -13.034
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: 8, replica: 4
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -184.648797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.648797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.124475 (E_RNA)
where:
Base-Base interactions energy: -133.777
where: short stacking energy: -55.785
Base-Backbone interact. energy: -0.033
local terms energy: -59.315028
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -13.188
flat angles C4'-P-C4' energy: -13.187
flat angles P-C4'-P energy: -4.613
tors. eta vs tors. theta energy: -14.422
Dist. restrs. and SS energy: 8.476 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -198.816710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.816710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.850181 (E_RNA)
where:
Base-Base interactions energy: -136.413
where: short stacking energy: -49.262
Base-Backbone interact. energy: -0.060
local terms energy: -62.377932
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -4.993
tors. eta vs tors. theta energy: -16.173
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -174.629223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.629223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.242224 (E_RNA)
where:
Base-Base interactions energy: -124.654
where: short stacking energy: -53.456
Base-Backbone interact. energy: -0.011
local terms energy: -58.577618
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -8.482
flat angles C4'-P-C4' energy: -12.445
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -15.026
Dist. restrs. and SS energy: 8.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -236.397311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.397311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.413720 (E_RNA)
where:
Base-Base interactions energy: -170.874
where: short stacking energy: -68.760
Base-Backbone interact. energy: -0.005
local terms energy: -65.534265
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -5.333
tors. eta vs tors. theta energy: -18.634
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -221.884121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.884121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.897722 (E_RNA)
where:
Base-Base interactions energy: -162.675
where: short stacking energy: -67.246
Base-Backbone interact. energy: -0.000
local terms energy: -59.222428
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -13.634
flat angles C4'-P-C4' energy: -7.613
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -15.839
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -216.923910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.923910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.923910 (E_RNA)
where:
Base-Base interactions energy: -152.653
where: short stacking energy: -63.166
Base-Backbone interact. energy: -0.056
local terms energy: -64.214432
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -11.037
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -16.824
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: 4, replica: 3
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -209.352109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.352109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.449465 (E_RNA)
where:
Base-Base interactions energy: -139.656
where: short stacking energy: -54.244
Base-Backbone interact. energy: -0.000
local terms energy: -69.793067
where:
bonds (distance) C4'-P energy: -11.371
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -17.540
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -208.106691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.106691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.309463 (E_RNA)
where:
Base-Base interactions energy: -152.692
where: short stacking energy: -60.839
Base-Backbone interact. energy: -0.375
local terms energy: -55.242277
where:
bonds (distance) C4'-P energy: -9.284
bonds (distance) P-C4' energy: -11.931
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -14.078
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: 6
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -204.645033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.645033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.664312 (E_RNA)
where:
Base-Base interactions energy: -143.862
where: short stacking energy: -56.099
Base-Backbone interact. energy: -0.052
local terms energy: -60.750225
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -5.345
tors. eta vs tors. theta energy: -15.229
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: 7, replica: 9
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -209.922270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.922270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.989900 (E_RNA)
where:
Base-Base interactions energy: -154.121
where: short stacking energy: -56.136
Base-Backbone interact. energy: -0.294
local terms energy: -55.574709
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -10.789
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -2.479
tors. eta vs tors. theta energy: -15.723
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: 27
Temperature: 1.250000
Total energy: -202.422569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.422569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.513489 (E_RNA)
where:
Base-Base interactions energy: -146.176
where: short stacking energy: -66.392
Base-Backbone interact. energy: -0.005
local terms energy: -56.332877
where:
bonds (distance) C4'-P energy: -9.512
bonds (distance) P-C4' energy: -11.094
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -6.120
tors. eta vs tors. theta energy: -18.018
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -176.467439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.467439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.226878 (E_RNA)
where:
Base-Base interactions energy: -134.800
where: short stacking energy: -59.934
Base-Backbone interact. energy: -0.414
local terms energy: -48.013391
where:
bonds (distance) C4'-P energy: -9.915
bonds (distance) P-C4' energy: -6.237
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -5.702
tors. eta vs tors. theta energy: -14.425
Dist. restrs. and SS energy: 6.759 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -178.089425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.089425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.283827 (E_RNA)
where:
Base-Base interactions energy: -132.789
where: short stacking energy: -55.462
Base-Backbone interact. energy: -0.124
local terms energy: -54.370640
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -9.919
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -7.518
tors. eta vs tors. theta energy: -12.442
Dist. restrs. and SS energy: 9.194 (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: 10
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -225.759752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.759752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.803893 (E_RNA)
where:
Base-Base interactions energy: -161.636
where: short stacking energy: -63.931
Base-Backbone interact. energy: -0.294
local terms energy: -63.873722
where:
bonds (distance) C4'-P energy: -11.988
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -16.232
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: 28
Temperature: 0.950000
Total energy: -227.354893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.354893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.482501 (E_RNA)
where:
Base-Base interactions energy: -165.853
where: short stacking energy: -64.341
Base-Backbone interact. energy: -0.134
local terms energy: -61.495717
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -5.015
tors. eta vs tors. theta energy: -15.940
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: 3, replica: 3
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -218.224196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.224196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.242290 (E_RNA)
where:
Base-Base interactions energy: -148.982
where: short stacking energy: -64.095
Base-Backbone interact. energy: -0.018
local terms energy: -69.242486
where:
bonds (distance) C4'-P energy: -13.075
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -16.805
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -209.340887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.340887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.360150 (E_RNA)
where:
Base-Base interactions energy: -144.668
where: short stacking energy: -60.500
Base-Backbone interact. energy: -0.266
local terms energy: -64.425710
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -12.046
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -7.325
tors. eta vs tors. theta energy: -16.209
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: 6
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -204.069673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.069673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.074761 (E_RNA)
where:
Base-Base interactions energy: -142.024
where: short stacking energy: -55.443
Base-Backbone interact. energy: -0.794
local terms energy: -61.257302
where:
bonds (distance) C4'-P energy: -12.311
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -15.941
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -214.254430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.254430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.388260 (E_RNA)
where:
Base-Base interactions energy: -151.326
where: short stacking energy: -59.310
Base-Backbone interact. energy: -0.077
local terms energy: -62.985453
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -6.113
tors. eta vs tors. theta energy: -16.051
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -203.368770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.368770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.470663 (E_RNA)
where:
Base-Base interactions energy: -143.558
where: short stacking energy: -58.279
Base-Backbone interact. energy: -0.056
local terms energy: -59.856271
where:
bonds (distance) C4'-P energy: -11.774
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -11.523
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: -14.044
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -199.266271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.266271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.429365 (E_RNA)
where:
Base-Base interactions energy: -137.398
where: short stacking energy: -57.704
Base-Backbone interact. energy: -0.004
local terms energy: -62.027180
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -14.092
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: 9, replica: 5
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -170.058919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.058919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.917621 (E_RNA)
where:
Base-Base interactions energy: -120.614
where: short stacking energy: -51.421
Base-Backbone interact. energy: -0.155
local terms energy: -56.148491
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -12.021
flat angles C4'-P-C4' energy: -10.822
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -12.118
Dist. restrs. and SS energy: 6.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -172.549434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.549434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.403203 (E_RNA)
where:
Base-Base interactions energy: -123.092
where: short stacking energy: -53.327
Base-Backbone interact. energy: -0.763
local terms energy: -56.547772
where:
bonds (distance) C4'-P energy: -9.663
bonds (distance) P-C4' energy: -13.175
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -12.303
Dist. restrs. and SS energy: 7.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -227.683803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.683803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.858769 (E_RNA)
where:
Base-Base interactions energy: -164.852
where: short stacking energy: -68.369
Base-Backbone interact. energy: -0.008
local terms energy: -62.999418
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -10.928
flat angles C4'-P-C4' energy: -11.956
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -18.089
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: 29
Temperature: 0.950000
Total energy: -215.811517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.811517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.840636 (E_RNA)
where:
Base-Base interactions energy: -151.975
where: short stacking energy: -66.742
Base-Backbone interact. energy: -0.001
local terms energy: -63.864624
where:
bonds (distance) C4'-P energy: -9.904
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -16.848
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -213.536816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.536816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.536816 (E_RNA)
where:
Base-Base interactions energy: -153.432
where: short stacking energy: -64.275
Base-Backbone interact. energy: -0.000
local terms energy: -60.104002
where:
bonds (distance) C4'-P energy: -7.276
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -6.637
tors. eta vs tors. theta energy: -17.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -213.006557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.006557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.127680 (E_RNA)
where:
Base-Base interactions energy: -147.144
where: short stacking energy: -66.240
Base-Backbone interact. energy: -0.021
local terms energy: -65.962847
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -15.833
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -206.550249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.550249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.727515 (E_RNA)
where:
Base-Base interactions energy: -139.424
where: short stacking energy: -58.711
Base-Backbone interact. energy: -0.009
local terms energy: -67.294729
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -12.046
tors. eta vs tors. theta energy: -15.428
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -206.070977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.070977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.568294 (E_RNA)
where:
Base-Base interactions energy: -139.320
where: short stacking energy: -59.709
Base-Backbone interact. energy: -0.746
local terms energy: -66.502291
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -15.619
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: 7, replica: 2
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -210.105226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.105226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.163124 (E_RNA)
where:
Base-Base interactions energy: -156.056
where: short stacking energy: -61.982
Base-Backbone interact. energy: -0.087
local terms energy: -54.020430
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -9.583
flat angles C4'-P-C4' energy: -10.947
flat angles P-C4'-P energy: -5.988
tors. eta vs tors. theta energy: -16.165
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: 29
Temperature: 1.250000
Total energy: -199.879883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.879883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.937099 (E_RNA)
where:
Base-Base interactions energy: -148.294
where: short stacking energy: -56.122
Base-Backbone interact. energy: -0.064
local terms energy: -51.579391
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -10.830
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -2.667
tors. eta vs tors. theta energy: -11.978
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -174.798344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.798344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.397972 (E_RNA)
where:
Base-Base interactions energy: -123.768
where: short stacking energy: -48.150
Base-Backbone interact. energy: -0.350
local terms energy: -58.279454
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -9.717
flat angles P-C4'-P energy: -6.715
tors. eta vs tors. theta energy: -15.417
Dist. restrs. and SS energy: 7.600 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -177.151243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.151243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.539784 (E_RNA)
where:
Base-Base interactions energy: -125.599
where: short stacking energy: -50.363
Base-Backbone interact. energy: -0.614
local terms energy: -58.326997
where:
bonds (distance) C4'-P energy: -9.510
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -10.252
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -16.890
Dist. restrs. and SS energy: 7.389 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -219.792510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.792510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.792510 (E_RNA)
where:
Base-Base interactions energy: -153.266
where: short stacking energy: -66.315
Base-Backbone interact. energy: -0.245
local terms energy: -66.280708
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -10.504
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -19.321
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -227.379143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.379143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.391703 (E_RNA)
where:
Base-Base interactions energy: -161.453
where: short stacking energy: -66.338
Base-Backbone interact. energy: -0.257
local terms energy: -65.681223
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -11.063
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -18.613
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -211.707402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.707402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.707402 (E_RNA)
where:
Base-Base interactions energy: -148.962
where: short stacking energy: -51.733
Base-Backbone interact. energy: -0.029
local terms energy: -62.716662
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -11.997
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -13.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -207.690948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.690948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.833580 (E_RNA)
where:
Base-Base interactions energy: -143.968
where: short stacking energy: -59.095
Base-Backbone interact. energy: -0.003
local terms energy: -63.863242
where:
bonds (distance) C4'-P energy: -11.861
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -11.587
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -16.251
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -215.358888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.358888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.430065 (E_RNA)
where:
Base-Base interactions energy: -145.119
where: short stacking energy: -59.650
Base-Backbone interact. energy: -0.668
local terms energy: -69.643959
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -12.919
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -17.696
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -205.494058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.494058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.606906 (E_RNA)
where:
Base-Base interactions energy: -145.046
where: short stacking energy: -63.449
Base-Backbone interact. energy: 1.122
local terms energy: -61.682373
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -13.719
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -206.087458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.087458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.223099 (E_RNA)
where:
Base-Base interactions energy: -141.392
where: short stacking energy: -59.002
Base-Backbone interact. energy: -0.002
local terms energy: -64.828411
where:
bonds (distance) C4'-P energy: -10.049
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -6.481
tors. eta vs tors. theta energy: -20.150
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -195.114706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.114706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.217426 (E_RNA)
where:
Base-Base interactions energy: -140.462
where: short stacking energy: -55.280
Base-Backbone interact. energy: -0.204
local terms energy: -54.551328
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -11.063
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -2.705
tors. eta vs tors. theta energy: -18.471
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: 30
Temperature: 1.300000
Total energy: -171.031732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.031732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.031023 (E_RNA)
where:
Base-Base interactions energy: -124.808
where: short stacking energy: -46.910
Base-Backbone interact. energy: -0.684
local terms energy: -53.538775
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -7.726
flat angles C4'-P-C4' energy: -10.517
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -12.400
Dist. restrs. and SS energy: 7.999 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -179.393203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.393203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.205788 (E_RNA)
where:
Base-Base interactions energy: -120.773
where: short stacking energy: -50.293
Base-Backbone interact. energy: -0.052
local terms energy: -66.380574
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -10.784
tors. eta vs tors. theta energy: -16.227
Dist. restrs. and SS energy: 7.813 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -222.366778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.366778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.370413 (E_RNA)
where:
Base-Base interactions energy: -151.012
where: short stacking energy: -63.256
Base-Backbone interact. energy: -0.007
local terms energy: -71.350942
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -10.565
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -13.371
tors. eta vs tors. theta energy: -19.028
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: 31
Temperature: 0.950000
Total energy: -220.070861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.070861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.094297 (E_RNA)
where:
Base-Base interactions energy: -153.159
where: short stacking energy: -62.463
Base-Backbone interact. energy: -0.000
local terms energy: -66.934929
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -17.339
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -217.469369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.469369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.541538 (E_RNA)
where:
Base-Base interactions energy: -152.310
where: short stacking energy: -64.582
Base-Backbone interact. energy: -0.317
local terms energy: -64.914754
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -9.383
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -17.963
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -216.396816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.396816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.396816 (E_RNA)
where:
Base-Base interactions energy: -155.675
where: short stacking energy: -62.159
Base-Backbone interact. energy: -0.004
local terms energy: -60.718235
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -10.682
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: -16.285
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -206.410406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.410406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.411781 (E_RNA)
where:
Base-Base interactions energy: -145.808
where: short stacking energy: -61.488
Base-Backbone interact. energy: 0.279
local terms energy: -60.883620
where:
bonds (distance) C4'-P energy: -6.460
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -16.274
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -203.965586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.965586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.114243 (E_RNA)
where:
Base-Base interactions energy: -140.379
where: short stacking energy: -56.565
Base-Backbone interact. energy: -0.002
local terms energy: -63.733722
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -11.035
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -15.130
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: 6
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -207.296663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.296663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.682158 (E_RNA)
where:
Base-Base interactions energy: -142.659
where: short stacking energy: -61.807
Base-Backbone interact. energy: -0.001
local terms energy: -65.022306
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -10.531
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -19.079
Dist. restrs. and SS energy: 0.385 (S_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: -179.804196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.804196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.584863 (E_RNA)
where:
Base-Base interactions energy: -133.993
where: short stacking energy: -57.609
Base-Backbone interact. energy: -0.070
local terms energy: -53.522192
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -7.645
flat angles C4'-P-C4' energy: -9.351
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -15.650
Dist. restrs. and SS energy: 7.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -199.641027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.641027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.719447 (E_RNA)
where:
Base-Base interactions energy: -136.400
where: short stacking energy: -54.974
Base-Backbone interact. energy: -0.540
local terms energy: -62.779656
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -17.283
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -170.787939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.787939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.445910 (E_RNA)
where:
Base-Base interactions energy: -117.925
where: short stacking energy: -46.251
Base-Backbone interact. energy: -0.012
local terms energy: -59.508941
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -8.989
Dist. restrs. and SS energy: 6.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -223.082554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.082554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.188260 (E_RNA)
where:
Base-Base interactions energy: -150.756
where: short stacking energy: -61.905
Base-Backbone interact. energy: 0.379
local terms energy: -72.812051
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -16.312
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -221.603278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.603278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.644687 (E_RNA)
where:
Base-Base interactions energy: -158.240
where: short stacking energy: -66.011
Base-Backbone interact. energy: -0.063
local terms energy: -63.341375
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: -16.710
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -210.882057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.882057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.893326 (E_RNA)
where:
Base-Base interactions energy: -148.889
where: short stacking energy: -64.456
Base-Backbone interact. energy: -0.043
local terms energy: -61.960920
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -7.142
tors. eta vs tors. theta energy: -14.841
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -218.688891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.688891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.747143 (E_RNA)
where:
Base-Base interactions energy: -158.375
where: short stacking energy: -61.028
Base-Backbone interact. energy: -0.055
local terms energy: -60.317035
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -13.607
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -218.024139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.024139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.056451 (E_RNA)
where:
Base-Base interactions energy: -155.822
where: short stacking energy: -62.778
Base-Backbone interact. energy: -0.067
local terms energy: -62.166679
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -7.776
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -16.526
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: 1
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -206.237253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.237253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.248210 (E_RNA)
where:
Base-Base interactions energy: -148.612
where: short stacking energy: -56.966
Base-Backbone interact. energy: 0.777
local terms energy: -58.413081
where:
bonds (distance) C4'-P energy: -9.548
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -13.400
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: 32
Temperature: 1.200000
Total energy: -201.760650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.760650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.813708 (E_RNA)
where:
Base-Base interactions energy: -140.765
where: short stacking energy: -56.482
Base-Backbone interact. energy: -0.107
local terms energy: -60.940939
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -6.815
tors. eta vs tors. theta energy: -12.917
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: 4
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -182.883471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.883471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.216041 (E_RNA)
where:
Base-Base interactions energy: -129.313
where: short stacking energy: -56.795
Base-Backbone interact. energy: -0.026
local terms energy: -61.877549
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: -15.064
Dist. restrs. and SS energy: 8.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -189.972600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.972600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.977438 (E_RNA)
where:
Base-Base interactions energy: -140.256
where: short stacking energy: -63.002
Base-Backbone interact. energy: -0.006
local terms energy: -56.715388
where:
bonds (distance) C4'-P energy: -9.348
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -4.495
tors. eta vs tors. theta energy: -15.346
Dist. restrs. and SS energy: 7.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -193.770723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.770723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.770723 (E_RNA)
where:
Base-Base interactions energy: -137.918
where: short stacking energy: -50.353
Base-Backbone interact. energy: -0.056
local terms energy: -55.796584
where:
bonds (distance) C4'-P energy: -7.031
bonds (distance) P-C4' energy: -10.496
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -13.912
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -216.294916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.294916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.299191 (E_RNA)
where:
Base-Base interactions energy: -148.234
where: short stacking energy: -57.600
Base-Backbone interact. energy: -0.315
local terms energy: -67.749716
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -17.107
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: 33
Temperature: 0.950000
Total energy: -219.320720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.320720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.364396 (E_RNA)
where:
Base-Base interactions energy: -157.787
where: short stacking energy: -65.083
Base-Backbone interact. energy: 0.481
local terms energy: -62.057859
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -14.340
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -215.083451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.083451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.137279 (E_RNA)
where:
Base-Base interactions energy: -160.544
where: short stacking energy: -62.888
Base-Backbone interact. energy: -0.065
local terms energy: -54.527695
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -2.231
tors. eta vs tors. theta energy: -13.599
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: 33
Temperature: 1.050000
Total energy: -220.355449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.355449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.369539 (E_RNA)
where:
Base-Base interactions energy: -160.647
where: short stacking energy: -60.837
Base-Backbone interact. energy: -0.207
local terms energy: -59.515755
where:
bonds (distance) C4'-P energy: -9.721
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -9.612
flat angles P-C4'-P energy: -6.221
tors. eta vs tors. theta energy: -18.421
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: 10
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -212.540045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.540045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.598293 (E_RNA)
where:
Base-Base interactions energy: -155.027
where: short stacking energy: -64.239
Base-Backbone interact. energy: -0.622
local terms energy: -56.949323
where:
bonds (distance) C4'-P energy: -9.233
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -4.511
tors. eta vs tors. theta energy: -14.783
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: 1
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -202.089144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.089144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.376994 (E_RNA)
where:
Base-Base interactions energy: -139.695
where: short stacking energy: -57.805
Base-Backbone interact. energy: -0.049
local terms energy: -62.632830
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -12.925
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -13.296
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: 7, replica: 6
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -201.479653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.479653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.548849 (E_RNA)
where:
Base-Base interactions energy: -135.391
where: short stacking energy: -60.171
Base-Backbone interact. energy: -0.055
local terms energy: -66.102844
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -12.491
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -9.244
tors. eta vs tors. theta energy: -16.384
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: 33
Temperature: 1.250000
Total energy: -190.653822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.653822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.340180 (E_RNA)
where:
Base-Base interactions energy: -138.262
where: short stacking energy: -53.025
Base-Backbone interact. energy: -0.058
local terms energy: -60.020172
where:
bonds (distance) C4'-P energy: -11.638
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: -14.600
Dist. restrs. and SS energy: 7.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -169.525968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.525968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.817037 (E_RNA)
where:
Base-Base interactions energy: -123.838
where: short stacking energy: -46.080
Base-Backbone interact. energy: -0.143
local terms energy: -51.836235
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -4.755
tors. eta vs tors. theta energy: -10.085
Dist. restrs. and SS energy: 6.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -194.818456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.818456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.874646 (E_RNA)
where:
Base-Base interactions energy: -135.392
where: short stacking energy: -50.970
Base-Backbone interact. energy: -0.205
local terms energy: -59.277581
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -9.909
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -15.253
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: 8
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -224.144352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.144352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.159705 (E_RNA)
where:
Base-Base interactions energy: -154.656
where: short stacking energy: -66.611
Base-Backbone interact. energy: -0.002
local terms energy: -69.501823
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -16.921
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: 34
Temperature: 0.950000
Total energy: -234.662666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.662666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.684252 (E_RNA)
where:
Base-Base interactions energy: -174.852
where: short stacking energy: -71.391
Base-Backbone interact. energy: -0.002
local terms energy: -59.830440
where:
bonds (distance) C4'-P energy: -11.245
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -5.212
tors. eta vs tors. theta energy: -15.993
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: 34
Temperature: 1.000000
Total energy: -219.327524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.327524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.398965 (E_RNA)
where:
Base-Base interactions energy: -160.984
where: short stacking energy: -65.004
Base-Backbone interact. energy: -0.580
local terms energy: -57.834534
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -11.550
flat angles P-C4'-P energy: -4.142
tors. eta vs tors. theta energy: -14.814
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -204.336670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.336670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.382532 (E_RNA)
where:
Base-Base interactions energy: -142.340
where: short stacking energy: -60.408
Base-Backbone interact. energy: -0.032
local terms energy: -62.010700
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -16.204
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: 34
Temperature: 1.100000
Total energy: -204.456779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.456779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.709448 (E_RNA)
where:
Base-Base interactions energy: -143.956
where: short stacking energy: -55.660
Base-Backbone interact. energy: -0.239
local terms energy: -60.514377
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -10.997
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -13.446
Dist. restrs. and SS energy: 0.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -204.487666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.487666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.492625 (E_RNA)
where:
Base-Base interactions energy: -143.555
where: short stacking energy: -56.173
Base-Backbone interact. energy: -0.099
local terms energy: -60.838737
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -11.042
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -14.324
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: 6
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -202.658805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.658805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.778185 (E_RNA)
where:
Base-Base interactions energy: -139.601
where: short stacking energy: -56.113
Base-Backbone interact. energy: -0.096
local terms energy: -63.081381
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -10.432
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -13.051
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: 34
Temperature: 1.250000
Total energy: -191.468546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.468546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.706709 (E_RNA)
where:
Base-Base interactions energy: -139.730
where: short stacking energy: -62.292
Base-Backbone interact. energy: 0.369
local terms energy: -60.345877
where:
bonds (distance) C4'-P energy: -11.142
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -11.912
flat angles P-C4'-P energy: -5.506
tors. eta vs tors. theta energy: -17.631
Dist. restrs. and SS energy: 8.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -194.787530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.787530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.787530 (E_RNA)
where:
Base-Base interactions energy: -139.071
where: short stacking energy: -55.313
Base-Backbone interact. energy: -0.096
local terms energy: -55.620574
where:
bonds (distance) C4'-P energy: -8.058
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -10.432
flat angles P-C4'-P energy: -6.265
tors. eta vs tors. theta energy: -16.432
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -176.814083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.814083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.149333 (E_RNA)
where:
Base-Base interactions energy: -133.871
where: short stacking energy: -55.993
Base-Backbone interact. energy: 0.547
local terms energy: -50.825398
where:
bonds (distance) C4'-P energy: -7.160
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -6.491
tors. eta vs tors. theta energy: -14.428
Dist. restrs. and SS energy: 7.335 (S_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: 35
Temperature: 0.900000
Total energy: -217.487491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.487491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.610465 (E_RNA)
where:
Base-Base interactions energy: -154.872
where: short stacking energy: -64.705
Base-Backbone interact. energy: -0.004
local terms energy: -62.734229
where:
bonds (distance) C4'-P energy: -11.174
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -6.209
tors. eta vs tors. theta energy: -15.594
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: 2, replica: 9
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -223.312205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.312205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.312205 (E_RNA)
where:
Base-Base interactions energy: -165.320
where: short stacking energy: -66.145
Base-Backbone interact. energy: -0.282
local terms energy: -57.710073
where:
bonds (distance) C4'-P energy: -10.555
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -5.191
tors. eta vs tors. theta energy: -17.784
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -223.880792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.880792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.880792 (E_RNA)
where:
Base-Base interactions energy: -166.507
where: short stacking energy: -68.742
Base-Backbone interact. energy: -0.178
local terms energy: -57.195161
where:
bonds (distance) C4'-P energy: -10.874
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -12.865
flat angles P-C4'-P energy: -5.956
tors. eta vs tors. theta energy: -14.824
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: 4, replica: 1
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -203.687423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.687423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.819172 (E_RNA)
where:
Base-Base interactions energy: -145.520
where: short stacking energy: -62.904
Base-Backbone interact. energy: -0.010
local terms energy: -58.289413
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -10.036
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -14.408
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: 35
Temperature: 1.100000
Total energy: -217.402195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.402195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.402311 (E_RNA)
where:
Base-Base interactions energy: -160.837
where: short stacking energy: -65.598
Base-Backbone interact. energy: -0.007
local terms energy: -56.558519
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -9.553
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -6.513
tors. eta vs tors. theta energy: -14.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -214.187128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.187128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.204202 (E_RNA)
where:
Base-Base interactions energy: -147.085
where: short stacking energy: -62.148
Base-Backbone interact. energy: 0.141
local terms energy: -67.260714
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -11.588
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -15.939
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -204.036744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.036744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.090269 (E_RNA)
where:
Base-Base interactions energy: -134.536
where: short stacking energy: -54.976
Base-Backbone interact. energy: -0.065
local terms energy: -69.489967
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -17.438
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: 35
Temperature: 1.250000
Total energy: -210.021032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.021032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.069753 (E_RNA)
where:
Base-Base interactions energy: -147.193
where: short stacking energy: -57.643
Base-Backbone interact. energy: -0.231
local terms energy: -62.645965
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -11.883
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -13.731
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -175.920003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.920003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.255493 (E_RNA)
where:
Base-Base interactions energy: -126.592
where: short stacking energy: -59.665
Base-Backbone interact. energy: -0.014
local terms energy: -57.649823
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -11.897
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -13.397
Dist. restrs. and SS energy: 8.335 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -173.084092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.084092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.572039 (E_RNA)
where:
Base-Base interactions energy: -134.629
where: short stacking energy: -62.924
Base-Backbone interact. energy: -0.080
local terms energy: -47.863901
where:
bonds (distance) C4'-P energy: -7.710
bonds (distance) P-C4' energy: -7.041
flat angles C4'-P-C4' energy: -9.628
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -15.520
Dist. restrs. and SS energy: 9.488 (S_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: 36
Temperature: 0.900000
Total energy: -224.199448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.199448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.204862 (E_RNA)
where:
Base-Base interactions energy: -157.631
where: short stacking energy: -63.425
Base-Backbone interact. energy: -0.218
local terms energy: -66.356625
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -16.128
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -219.174753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.174753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.322069 (E_RNA)
where:
Base-Base interactions energy: -156.895
where: short stacking energy: -62.774
Base-Backbone interact. energy: -0.575
local terms energy: -61.851732
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -12.216
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -5.929
tors. eta vs tors. theta energy: -14.019
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -224.126615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.126615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.187223 (E_RNA)
where:
Base-Base interactions energy: -164.697
where: short stacking energy: -68.820
Base-Backbone interact. energy: -0.014
local terms energy: -59.475780
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -11.179
flat angles P-C4'-P energy: -2.940
tors. eta vs tors. theta energy: -18.913
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -220.854668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.854668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.883819 (E_RNA)
where:
Base-Base interactions energy: -159.267
where: short stacking energy: -55.216
Base-Backbone interact. energy: -0.009
local terms energy: -61.608224
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -5.928
tors. eta vs tors. theta energy: -12.363
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: 36
Temperature: 1.100000
Total energy: -211.354291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.354291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.411256 (E_RNA)
where:
Base-Base interactions energy: -145.062
where: short stacking energy: -58.367
Base-Backbone interact. energy: -0.036
local terms energy: -66.312462
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -16.594
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: 10
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -210.805212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.805212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.805212 (E_RNA)
where:
Base-Base interactions energy: -148.849
where: short stacking energy: -60.409
Base-Backbone interact. energy: -0.044
local terms energy: -61.912076
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -11.416
flat angles P-C4'-P energy: -6.761
tors. eta vs tors. theta energy: -19.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -207.889917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.889917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.918291 (E_RNA)
where:
Base-Base interactions energy: -149.005
where: short stacking energy: -63.020
Base-Backbone interact. energy: -0.216
local terms energy: -58.697000
where:
bonds (distance) C4'-P energy: -4.939
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -15.236
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: 36
Temperature: 1.250000
Total energy: -198.022957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.022957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.047454 (E_RNA)
where:
Base-Base interactions energy: -140.253
where: short stacking energy: -54.494
Base-Backbone interact. energy: -0.297
local terms energy: -57.497060
where:
bonds (distance) C4'-P energy: -8.136
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -13.431
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -178.314014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.314014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.934625 (E_RNA)
where:
Base-Base interactions energy: -127.149
where: short stacking energy: -47.776
Base-Backbone interact. energy: 1.770
local terms energy: -59.555789
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -10.740
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -13.488
Dist. restrs. and SS energy: 6.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -165.786024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.786024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.917904 (E_RNA)
where:
Base-Base interactions energy: -113.532
where: short stacking energy: -44.229
Base-Backbone interact. energy: -1.718
local terms energy: -57.667467
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -10.644
flat angles C4'-P-C4' energy: -10.986
flat angles P-C4'-P energy: -7.238
tors. eta vs tors. theta energy: -15.621
Dist. restrs. and SS energy: 7.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -228.716157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.716157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.839337 (E_RNA)
where:
Base-Base interactions energy: -163.824
where: short stacking energy: -68.218
Base-Backbone interact. energy: -0.000
local terms energy: -65.014990
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -11.345
flat angles P-C4'-P energy: -6.992
tors. eta vs tors. theta energy: -19.281
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -216.396342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.396342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.457704 (E_RNA)
where:
Base-Base interactions energy: -155.217
where: short stacking energy: -65.307
Base-Backbone interact. energy: -0.042
local terms energy: -61.198407
where:
bonds (distance) C4'-P energy: -12.681
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -6.539
tors. eta vs tors. theta energy: -15.537
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -222.557713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.557713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.568243 (E_RNA)
where:
Base-Base interactions energy: -162.150
where: short stacking energy: -69.593
Base-Backbone interact. energy: -0.017
local terms energy: -60.401666
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -3.903
tors. eta vs tors. theta energy: -15.529
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -228.111712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.111712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.169040 (E_RNA)
where:
Base-Base interactions energy: -168.068
where: short stacking energy: -63.961
Base-Backbone interact. energy: -0.001
local terms energy: -60.099641
where:
bonds (distance) C4'-P energy: -7.719
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -5.536
tors. eta vs tors. theta energy: -16.072
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -204.863705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.863705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.906175 (E_RNA)
where:
Base-Base interactions energy: -145.289
where: short stacking energy: -50.795
Base-Backbone interact. energy: -0.719
local terms energy: -58.897824
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -4.598
tors. eta vs tors. theta energy: -12.776
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: 6, replica: 2
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -204.776622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.776622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.826423 (E_RNA)
where:
Base-Base interactions energy: -145.758
where: short stacking energy: -60.953
Base-Backbone interact. energy: 1.444
local terms energy: -60.512486
where:
bonds (distance) C4'-P energy: -10.982
bonds (distance) P-C4' energy: -14.223
flat angles C4'-P-C4' energy: -11.311
flat angles P-C4'-P energy: -7.750
tors. eta vs tors. theta energy: -16.247
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -202.699930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.699930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.879644 (E_RNA)
where:
Base-Base interactions energy: -147.919
where: short stacking energy: -52.432
Base-Backbone interact. energy: -0.053
local terms energy: -54.907348
where:
bonds (distance) C4'-P energy: -8.020
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -4.342
tors. eta vs tors. theta energy: -14.312
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: 37
Temperature: 1.250000
Total energy: -181.861738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.861738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.274820 (E_RNA)
where:
Base-Base interactions energy: -133.970
where: short stacking energy: -58.000
Base-Backbone interact. energy: 0.132
local terms energy: -55.436913
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -11.098
flat angles C4'-P-C4' energy: -10.903
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -14.294
Dist. restrs. and SS energy: 7.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -199.555796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.555796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.653588 (E_RNA)
where:
Base-Base interactions energy: -143.906
where: short stacking energy: -59.123
Base-Backbone interact. energy: -0.001
local terms energy: -55.747442
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -2.703
tors. eta vs tors. theta energy: -13.646
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: 37
Temperature: 1.350000
Total energy: -171.424227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.424227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.294444 (E_RNA)
where:
Base-Base interactions energy: -122.141
where: short stacking energy: -54.593
Base-Backbone interact. energy: -0.087
local terms energy: -57.067210
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -9.851
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -11.619
Dist. restrs. and SS energy: 7.870 (S_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: 38
Temperature: 0.900000
Total energy: -223.980817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.980817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.005646 (E_RNA)
where:
Base-Base interactions energy: -162.244
where: short stacking energy: -65.210
Base-Backbone interact. energy: 1.218
local terms energy: -62.980487
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -7.408
tors. eta vs tors. theta energy: -14.360
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -211.949386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.949386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.061392 (E_RNA)
where:
Base-Base interactions energy: -148.382
where: short stacking energy: -58.348
Base-Backbone interact. energy: -0.001
local terms energy: -63.677736
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -10.580
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -223.503594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.503594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.548321 (E_RNA)
where:
Base-Base interactions energy: -167.685
where: short stacking energy: -68.923
Base-Backbone interact. energy: -0.420
local terms energy: -55.443302
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -8.401
flat angles C4'-P-C4' energy: -13.407
flat angles P-C4'-P energy: -4.788
tors. eta vs tors. theta energy: -17.186
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -225.358323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.358323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.510080 (E_RNA)
where:
Base-Base interactions energy: -173.328
where: short stacking energy: -68.362
Base-Backbone interact. energy: -0.045
local terms energy: -52.136727
where:
bonds (distance) C4'-P energy: -6.246
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -10.529
flat angles P-C4'-P energy: -3.309
tors. eta vs tors. theta energy: -17.901
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -213.368175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.368175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.504284 (E_RNA)
where:
Base-Base interactions energy: -147.612
where: short stacking energy: -63.618
Base-Backbone interact. energy: -0.063
local terms energy: -65.829220
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -12.848
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -14.985
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: 38
Temperature: 1.150000
Total energy: -202.044844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.044844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.214148 (E_RNA)
where:
Base-Base interactions energy: -139.135
where: short stacking energy: -51.386
Base-Backbone interact. energy: -0.294
local terms energy: -62.784926
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -13.237
Dist. restrs. and SS energy: 0.169 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -198.431651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.431651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.519417 (E_RNA)
where:
Base-Base interactions energy: -140.629
where: short stacking energy: -55.972
Base-Backbone interact. energy: -0.001
local terms energy: -57.889720
where:
bonds (distance) C4'-P energy: -8.616
bonds (distance) P-C4' energy: -10.873
flat angles C4'-P-C4' energy: -10.289
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -17.478
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: 4
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -175.720203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.720203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.345264 (E_RNA)
where:
Base-Base interactions energy: -126.968
where: short stacking energy: -54.474
Base-Backbone interact. energy: -0.002
local terms energy: -56.374878
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -10.502
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -15.618
Dist. restrs. and SS energy: 7.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -175.017654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.017654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.634019 (E_RNA)
where:
Base-Base interactions energy: -123.389
where: short stacking energy: -55.587
Base-Backbone interact. energy: -0.050
local terms energy: -59.195197
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -4.892
tors. eta vs tors. theta energy: -13.879
Dist. restrs. and SS energy: 7.616 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -199.519718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.519718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.608722 (E_RNA)
where:
Base-Base interactions energy: -137.505
where: short stacking energy: -56.115
Base-Backbone interact. energy: -0.069
local terms energy: -62.034423
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -12.124
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -17.065
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: 9
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -216.266872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.266872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.266872 (E_RNA)
where:
Base-Base interactions energy: -151.543
where: short stacking energy: -61.252
Base-Backbone interact. energy: -0.006
local terms energy: -64.718783
where:
bonds (distance) C4'-P energy: -7.516
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -16.699
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -220.028759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.028759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.091556 (E_RNA)
where:
Base-Base interactions energy: -148.527
where: short stacking energy: -60.934
Base-Backbone interact. energy: -0.003
local terms energy: -71.561584
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -17.020
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: 3
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -223.280582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.280582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.362504 (E_RNA)
where:
Base-Base interactions energy: -163.186
where: short stacking energy: -61.360
Base-Backbone interact. energy: -0.049
local terms energy: -60.127496
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -6.313
tors. eta vs tors. theta energy: -15.263
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: 39
Temperature: 1.050000
Total energy: -206.560574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.560574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.564335 (E_RNA)
where:
Base-Base interactions energy: -141.663
where: short stacking energy: -56.122
Base-Backbone interact. energy: -0.048
local terms energy: -64.852962
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -11.454
tors. eta vs tors. theta energy: -12.841
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: 39
Temperature: 1.100000
Total energy: -223.439340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.439340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.453997 (E_RNA)
where:
Base-Base interactions energy: -162.635
where: short stacking energy: -61.235
Base-Backbone interact. energy: -0.002
local terms energy: -60.816462
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -4.428
tors. eta vs tors. theta energy: -16.283
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: 10
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -205.062385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.062385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.107191 (E_RNA)
where:
Base-Base interactions energy: -143.341
where: short stacking energy: -55.470
Base-Backbone interact. energy: -0.002
local terms energy: -61.764486
where:
bonds (distance) C4'-P energy: -10.472
bonds (distance) P-C4' energy: -14.118
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -14.892
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -202.231152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.231152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.436658 (E_RNA)
where:
Base-Base interactions energy: -134.556
where: short stacking energy: -58.831
Base-Backbone interact. energy: 0.712
local terms energy: -68.592705
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -16.876
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: 39
Temperature: 1.250000
Total energy: -184.440874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.440874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.665078 (E_RNA)
where:
Base-Base interactions energy: -137.416
where: short stacking energy: -58.073
Base-Backbone interact. energy: -0.198
local terms energy: -54.050584
where:
bonds (distance) C4'-P energy: -5.897
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -10.283
flat angles P-C4'-P energy: -6.192
tors. eta vs tors. theta energy: -16.399
Dist. restrs. and SS energy: 7.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -182.127289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.127289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.285426 (E_RNA)
where:
Base-Base interactions energy: -131.169
where: short stacking energy: -59.442
Base-Backbone interact. energy: -0.342
local terms energy: -58.775083
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -10.624
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -13.422
Dist. restrs. and SS energy: 8.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -192.697720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.697720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.837779 (E_RNA)
where:
Base-Base interactions energy: -136.761
where: short stacking energy: -54.359
Base-Backbone interact. energy: -0.001
local terms energy: -56.075807
where:
bonds (distance) C4'-P energy: -9.904
bonds (distance) P-C4' energy: -9.865
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -10.637
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: 8
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -220.159586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.159586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.245147 (E_RNA)
where:
Base-Base interactions energy: -158.461
where: short stacking energy: -70.582
Base-Backbone interact. energy: -0.003
local terms energy: -61.780883
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -10.782
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -8.102
tors. eta vs tors. theta energy: -15.261
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -228.420125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.420125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.439160 (E_RNA)
where:
Base-Base interactions energy: -162.388
where: short stacking energy: -67.257
Base-Backbone interact. energy: -0.239
local terms energy: -65.812179
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -9.960
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -18.273
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -230.801015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.801015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.816719 (E_RNA)
where:
Base-Base interactions energy: -166.363
where: short stacking energy: -62.672
Base-Backbone interact. energy: -0.473
local terms energy: -63.980501
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -13.682
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -6.016
tors. eta vs tors. theta energy: -17.895
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -213.612814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.612814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.692173 (E_RNA)
where:
Base-Base interactions energy: -157.549
where: short stacking energy: -62.111
Base-Backbone interact. energy: -0.108
local terms energy: -56.034335
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -11.423
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -5.098
tors. eta vs tors. theta energy: -15.809
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -214.278866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.278866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.554115 (E_RNA)
where:
Base-Base interactions energy: -152.257
where: short stacking energy: -58.064
Base-Backbone interact. energy: 0.177
local terms energy: -62.474610
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -4.332
tors. eta vs tors. theta energy: -14.504
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: 6, replica: 1
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -204.480320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.480320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.480320 (E_RNA)
where:
Base-Base interactions energy: -142.673
where: short stacking energy: -55.006
Base-Backbone interact. energy: -0.006
local terms energy: -61.801808
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -10.901
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -17.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -213.661465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.661465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.664700 (E_RNA)
where:
Base-Base interactions energy: -153.526
where: short stacking energy: -63.759
Base-Backbone interact. energy: -0.253
local terms energy: -59.885491
where:
bonds (distance) C4'-P energy: -10.198
bonds (distance) P-C4' energy: -12.050
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -6.613
tors. eta vs tors. theta energy: -15.717
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -180.860391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.860391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.129066 (E_RNA)
where:
Base-Base interactions energy: -130.945
where: short stacking energy: -60.307
Base-Backbone interact. energy: -0.240
local terms energy: -57.944561
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -13.150
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -6.802
tors. eta vs tors. theta energy: -15.111
Dist. restrs. and SS energy: 8.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -194.396045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.396045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.396045 (E_RNA)
where:
Base-Base interactions energy: -145.154
where: short stacking energy: -57.465
Base-Backbone interact. energy: -0.147
local terms energy: -49.095126
where:
bonds (distance) C4'-P energy: -4.949
bonds (distance) P-C4' energy: -9.559
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -13.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -172.561430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.561430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.433433 (E_RNA)
where:
Base-Base interactions energy: -124.093
where: short stacking energy: -51.186
Base-Backbone interact. energy: 0.003
local terms energy: -55.343362
where:
bonds (distance) C4'-P energy: -9.205
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -11.447
Dist. restrs. and SS energy: 6.872 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -221.699406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.699406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.699406 (E_RNA)
where:
Base-Base interactions energy: -158.333
where: short stacking energy: -64.156
Base-Backbone interact. energy: 0.033
local terms energy: -63.399468
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -12.536
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -232.470263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.470263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.569133 (E_RNA)
where:
Base-Base interactions energy: -165.074
where: short stacking energy: -68.359
Base-Backbone interact. energy: -0.247
local terms energy: -67.248150
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -6.004
tors. eta vs tors. theta energy: -15.804
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -227.389393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.389393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.389393 (E_RNA)
where:
Base-Base interactions energy: -167.050
where: short stacking energy: -67.455
Base-Backbone interact. energy: -0.007
local terms energy: -60.332341
where:
bonds (distance) C4'-P energy: -11.750
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -2.953
tors. eta vs tors. theta energy: -16.926
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -213.949721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.949721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.168431 (E_RNA)
where:
Base-Base interactions energy: -148.267
where: short stacking energy: -63.046
Base-Backbone interact. energy: -0.006
local terms energy: -65.895704
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -19.098
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: 5, replica: 2
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -209.983427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.983427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.077697 (E_RNA)
where:
Base-Base interactions energy: -156.003
where: short stacking energy: -58.879
Base-Backbone interact. energy: -0.068
local terms energy: -54.007126
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -10.869
flat angles C4'-P-C4' energy: -12.433
flat angles P-C4'-P energy: -4.145
tors. eta vs tors. theta energy: -13.733
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: 7
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -206.853518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.853518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.005230 (E_RNA)
where:
Base-Base interactions energy: -139.677
where: short stacking energy: -55.736
Base-Backbone interact. energy: -0.365
local terms energy: -66.962660
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -11.776
flat angles C4'-P-C4' energy: -12.411
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -17.670
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -201.568714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.568714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.748446 (E_RNA)
where:
Base-Base interactions energy: -143.104
where: short stacking energy: -60.839
Base-Backbone interact. energy: -0.216
local terms energy: -58.428812
where:
bonds (distance) C4'-P energy: -9.552
bonds (distance) P-C4' energy: -12.242
flat angles C4'-P-C4' energy: -11.935
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -14.796
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: 6
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -206.707271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.707271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.810217 (E_RNA)
where:
Base-Base interactions energy: -152.682
where: short stacking energy: -61.483
Base-Backbone interact. energy: -0.068
local terms energy: -54.060765
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -11.107
flat angles P-C4'-P energy: -4.520
tors. eta vs tors. theta energy: -13.734
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: 41
Temperature: 1.300000
Total energy: -171.754941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.754941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.974040 (E_RNA)
where:
Base-Base interactions energy: -120.427
where: short stacking energy: -45.573
Base-Backbone interact. energy: -0.727
local terms energy: -58.820428
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -9.646
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: -11.523
Dist. restrs. and SS energy: 8.219 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -178.474394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.474394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.390352 (E_RNA)
where:
Base-Base interactions energy: -126.888
where: short stacking energy: -51.099
Base-Backbone interact. energy: -0.139
local terms energy: -58.363519
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -11.381
flat angles P-C4'-P energy: -10.762
tors. eta vs tors. theta energy: -12.214
Dist. restrs. and SS energy: 6.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -238.618957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.618957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.691336 (E_RNA)
where:
Base-Base interactions energy: -173.247
where: short stacking energy: -70.294
Base-Backbone interact. energy: -0.403
local terms energy: -65.040990
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -11.888
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -17.867
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -224.877099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.877099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.945621 (E_RNA)
where:
Base-Base interactions energy: -157.141
where: short stacking energy: -66.626
Base-Backbone interact. energy: -0.575
local terms energy: -67.229766
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -16.566
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -15.375
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -218.381001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.381001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.393152 (E_RNA)
where:
Base-Base interactions energy: -151.502
where: short stacking energy: -63.222
Base-Backbone interact. energy: -0.085
local terms energy: -66.805931
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -15.954
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: 42
Temperature: 1.050000
Total energy: -208.395583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.395583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.488775 (E_RNA)
where:
Base-Base interactions energy: -147.793
where: short stacking energy: -60.654
Base-Backbone interact. energy: -0.019
local terms energy: -60.676640
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -10.745
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -15.535
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: 2
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -205.600726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.600726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.624945 (E_RNA)
where:
Base-Base interactions energy: -139.518
where: short stacking energy: -59.442
Base-Backbone interact. energy: -0.003
local terms energy: -66.103192
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -17.335
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: 7
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -201.963012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.963012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.963012 (E_RNA)
where:
Base-Base interactions energy: -141.680
where: short stacking energy: -58.933
Base-Backbone interact. energy: -0.002
local terms energy: -60.281006
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -12.732
flat angles C4'-P-C4' energy: -10.808
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -14.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -200.400716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.400716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.676633 (E_RNA)
where:
Base-Base interactions energy: -150.893
where: short stacking energy: -60.621
Base-Backbone interact. energy: -0.032
local terms energy: -49.752325
where:
bonds (distance) C4'-P energy: -9.121
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -10.242
flat angles P-C4'-P energy: -1.736
tors. eta vs tors. theta energy: -13.370
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: 1
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -202.456557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.456557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.472354 (E_RNA)
where:
Base-Base interactions energy: -144.316
where: short stacking energy: -56.067
Base-Backbone interact. energy: -0.001
local terms energy: -58.155787
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -11.253
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: -15.721
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -177.843173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.843173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.001900 (E_RNA)
where:
Base-Base interactions energy: -134.380
where: short stacking energy: -61.644
Base-Backbone interact. energy: -0.008
local terms energy: -50.613923
where:
bonds (distance) C4'-P energy: -7.984
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -9.269
flat angles P-C4'-P energy: -6.973
tors. eta vs tors. theta energy: -14.660
Dist. restrs. and SS energy: 7.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -178.839099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.839099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.443622 (E_RNA)
where:
Base-Base interactions energy: -134.048
where: short stacking energy: -57.701
Base-Backbone interact. energy: -1.443
local terms energy: -50.952670
where:
bonds (distance) C4'-P energy: -9.198
bonds (distance) P-C4' energy: -7.235
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -14.424
Dist. restrs. and SS energy: 7.605 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -237.422991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.422991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.463474 (E_RNA)
where:
Base-Base interactions energy: -173.319
where: short stacking energy: -68.656
Base-Backbone interact. energy: -0.021
local terms energy: -64.123552
where:
bonds (distance) C4'-P energy: -9.882
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -4.896
tors. eta vs tors. theta energy: -18.396
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -214.496770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.496770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.557092 (E_RNA)
where:
Base-Base interactions energy: -152.074
where: short stacking energy: -61.294
Base-Backbone interact. energy: -0.001
local terms energy: -62.482166
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -14.173
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -216.472807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.472807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.493173 (E_RNA)
where:
Base-Base interactions energy: -151.010
where: short stacking energy: -60.521
Base-Backbone interact. energy: -0.001
local terms energy: -65.482857
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -15.437
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -210.831459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.831459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.880147 (E_RNA)
where:
Base-Base interactions energy: -150.076
where: short stacking energy: -67.080
Base-Backbone interact. energy: -0.351
local terms energy: -60.453595
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -9.896
flat angles C4'-P-C4' energy: -10.707
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -18.997
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -209.445143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.445143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.471856 (E_RNA)
where:
Base-Base interactions energy: -153.146
where: short stacking energy: -63.505
Base-Backbone interact. energy: -0.239
local terms energy: -56.086702
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -10.383
flat angles P-C4'-P energy: -3.659
tors. eta vs tors. theta energy: -15.128
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: 43
Temperature: 1.150000
Total energy: -208.447847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.447847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.478549 (E_RNA)
where:
Base-Base interactions energy: -147.290
where: short stacking energy: -61.653
Base-Backbone interact. energy: -0.005
local terms energy: -61.183705
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -10.424
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -16.930
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -201.558950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.558950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.662806 (E_RNA)
where:
Base-Base interactions energy: -147.301
where: short stacking energy: -60.664
Base-Backbone interact. energy: -0.041
local terms energy: -54.321277
where:
bonds (distance) C4'-P energy: -9.296
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -5.364
tors. eta vs tors. theta energy: -13.696
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: 4
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -185.799575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.799575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.941712 (E_RNA)
where:
Base-Base interactions energy: -132.626
where: short stacking energy: -55.447
Base-Backbone interact. energy: -0.046
local terms energy: -61.270042
where:
bonds (distance) C4'-P energy: -10.270
bonds (distance) P-C4' energy: -10.940
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -8.507
tors. eta vs tors. theta energy: -16.213
Dist. restrs. and SS energy: 8.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -196.327237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.327237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.383104 (E_RNA)
where:
Base-Base interactions energy: -138.713
where: short stacking energy: -53.750
Base-Backbone interact. energy: -1.131
local terms energy: -56.539391
where:
bonds (distance) C4'-P energy: -8.916
bonds (distance) P-C4' energy: -9.242
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -12.095
tors. eta vs tors. theta energy: -13.193
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: 43
Temperature: 1.350000
Total energy: -174.864171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.864171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.621433 (E_RNA)
where:
Base-Base interactions energy: -130.145
where: short stacking energy: -58.675
Base-Backbone interact. energy: -0.162
local terms energy: -52.313977
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -6.553
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -3.481
tors. eta vs tors. theta energy: -17.010
Dist. restrs. and SS energy: 7.757 (S_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: 44
Temperature: 0.900000
Total energy: -229.019240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.019240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.169439 (E_RNA)
where:
Base-Base interactions energy: -165.245
where: short stacking energy: -67.406
Base-Backbone interact. energy: -0.056
local terms energy: -63.867694
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -4.825
tors. eta vs tors. theta energy: -17.949
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: 2, replica: 3
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -229.086917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.086917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.176787 (E_RNA)
where:
Base-Base interactions energy: -162.424
where: short stacking energy: -65.618
Base-Backbone interact. energy: -0.711
local terms energy: -66.042601
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -6.394
tors. eta vs tors. theta energy: -18.191
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -218.130468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.130468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.179624 (E_RNA)
where:
Base-Base interactions energy: -153.518
where: short stacking energy: -63.222
Base-Backbone interact. energy: -0.240
local terms energy: -64.422317
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -12.038
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -16.914
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: 8
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -212.812209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.812209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.960662 (E_RNA)
where:
Base-Base interactions energy: -147.067
where: short stacking energy: -60.416
Base-Backbone interact. energy: 0.101
local terms energy: -65.994908
where:
bonds (distance) C4'-P energy: -10.301
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -17.007
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -211.902766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.902766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.918101 (E_RNA)
where:
Base-Base interactions energy: -147.989
where: short stacking energy: -57.161
Base-Backbone interact. energy: 0.236
local terms energy: -64.165561
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -9.962
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -14.666
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -207.706639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.706639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.717852 (E_RNA)
where:
Base-Base interactions energy: -153.247
where: short stacking energy: -57.893
Base-Backbone interact. energy: -0.045
local terms energy: -54.425396
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -7.865
flat angles C4'-P-C4' energy: -8.736
flat angles P-C4'-P energy: -5.751
tors. eta vs tors. theta energy: -17.143
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: 7
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -205.273239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.273239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.498319 (E_RNA)
where:
Base-Base interactions energy: -144.424
where: short stacking energy: -60.664
Base-Backbone interact. energy: -0.097
local terms energy: -60.976919
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -4.589
tors. eta vs tors. theta energy: -16.697
Dist. restrs. and SS energy: 0.225 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -178.899643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.899643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.130857 (E_RNA)
where:
Base-Base interactions energy: -126.313
where: short stacking energy: -56.142
Base-Backbone interact. energy: -0.059
local terms energy: -59.758727
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -11.567
Dist. restrs. and SS energy: 7.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -199.560339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.560339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.717289 (E_RNA)
where:
Base-Base interactions energy: -137.197
where: short stacking energy: -56.933
Base-Backbone interact. energy: -0.575
local terms energy: -61.945253
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -10.303
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -15.341
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -170.974054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.974054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.272116 (E_RNA)
where:
Base-Base interactions energy: -119.616
where: short stacking energy: -49.831
Base-Backbone interact. energy: -0.004
local terms energy: -60.651820
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -12.488
Dist. restrs. and SS energy: 9.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -231.101643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.101643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.119918 (E_RNA)
where:
Base-Base interactions energy: -169.915
where: short stacking energy: -67.851
Base-Backbone interact. energy: -0.722
local terms energy: -60.483215
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -2.626
tors. eta vs tors. theta energy: -17.925
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -223.370560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.370560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.412763 (E_RNA)
where:
Base-Base interactions energy: -156.116
where: short stacking energy: -67.553
Base-Backbone interact. energy: -0.002
local terms energy: -67.294802
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -11.915
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -17.685
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -222.662422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.662422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.692077 (E_RNA)
where:
Base-Base interactions energy: -167.169
where: short stacking energy: -66.568
Base-Backbone interact. energy: -0.011
local terms energy: -55.511468
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -9.523
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -5.945
tors. eta vs tors. theta energy: -13.320
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -212.550304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.550304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.568113 (E_RNA)
where:
Base-Base interactions energy: -152.752
where: short stacking energy: -64.395
Base-Backbone interact. energy: -0.002
local terms energy: -59.814531
where:
bonds (distance) C4'-P energy: -11.981
bonds (distance) P-C4' energy: -11.129
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -12.906
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -210.904850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.904850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.906422 (E_RNA)
where:
Base-Base interactions energy: -151.165
where: short stacking energy: -56.666
Base-Backbone interact. energy: 2.223
local terms energy: -61.965062
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -12.096
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -12.495
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: 7
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -206.548332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.548332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.575967 (E_RNA)
where:
Base-Base interactions energy: -141.068
where: short stacking energy: -59.467
Base-Backbone interact. energy: -0.000
local terms energy: -65.508207
where:
bonds (distance) C4'-P energy: -13.099
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -11.039
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -16.762
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -198.014374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.014374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.068436 (E_RNA)
where:
Base-Base interactions energy: -142.034
where: short stacking energy: -58.274
Base-Backbone interact. energy: -0.032
local terms energy: -56.002891
where:
bonds (distance) C4'-P energy: -10.515
bonds (distance) P-C4' energy: -8.457
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -14.316
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -193.833904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.833904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.906554 (E_RNA)
where:
Base-Base interactions energy: -136.644
where: short stacking energy: -54.670
Base-Backbone interact. energy: -0.124
local terms energy: -57.138418
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -11.085
flat angles C4'-P-C4' energy: -9.131
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -16.811
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -173.170961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.170961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.613677 (E_RNA)
where:
Base-Base interactions energy: -125.707
where: short stacking energy: -55.753
Base-Backbone interact. energy: -0.276
local terms energy: -53.630477
where:
bonds (distance) C4'-P energy: -11.119
bonds (distance) P-C4' energy: -6.002
flat angles C4'-P-C4' energy: -11.232
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -13.917
Dist. restrs. and SS energy: 6.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -171.605560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.605560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.521597 (E_RNA)
where:
Base-Base interactions energy: -127.057
where: short stacking energy: -52.043
Base-Backbone interact. energy: -0.312
local terms energy: -52.152615
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -11.339
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -4.828
tors. eta vs tors. theta energy: -9.314
Dist. restrs. and SS energy: 7.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -234.485193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.485193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.485193 (E_RNA)
where:
Base-Base interactions energy: -166.201
where: short stacking energy: -63.148
Base-Backbone interact. energy: -0.011
local terms energy: -68.272558
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -6.560
tors. eta vs tors. theta energy: -18.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -225.184969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.184969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.184969 (E_RNA)
where:
Base-Base interactions energy: -168.224
where: short stacking energy: -67.005
Base-Backbone interact. energy: -0.052
local terms energy: -56.909721
where:
bonds (distance) C4'-P energy: -5.421
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -15.319
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -229.547623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.547623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.547623 (E_RNA)
where:
Base-Base interactions energy: -172.203
where: short stacking energy: -72.492
Base-Backbone interact. energy: -0.109
local terms energy: -57.236052
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -10.611
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -4.778
tors. eta vs tors. theta energy: -17.294
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -215.976529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.976529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.112348 (E_RNA)
where:
Base-Base interactions energy: -155.787
where: short stacking energy: -56.972
Base-Backbone interact. energy: -0.117
local terms energy: -60.208229
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -13.376
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -13.820
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -217.861677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.861677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.970943 (E_RNA)
where:
Base-Base interactions energy: -158.048
where: short stacking energy: -62.455
Base-Backbone interact. energy: 0.799
local terms energy: -60.722312
where:
bonds (distance) C4'-P energy: -9.793
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -7.384
tors. eta vs tors. theta energy: -17.248
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: 7
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -189.519505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.519505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.519505 (E_RNA)
where:
Base-Base interactions energy: -135.686
where: short stacking energy: -50.150
Base-Backbone interact. energy: 1.511
local terms energy: -55.344389
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -11.713
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: -9.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -200.993876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.993876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.067507 (E_RNA)
where:
Base-Base interactions energy: -147.250
where: short stacking energy: -63.193
Base-Backbone interact. energy: -0.000
local terms energy: -53.817082
where:
bonds (distance) C4'-P energy: -7.979
bonds (distance) P-C4' energy: -4.231
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -17.915
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -193.464995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.464995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.704830 (E_RNA)
where:
Base-Base interactions energy: -139.334
where: short stacking energy: -58.334
Base-Backbone interact. energy: -0.268
local terms energy: -54.103267
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -8.921
flat angles C4'-P-C4' energy: -10.536
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -16.100
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: 4
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -188.039364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.039364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.684074 (E_RNA)
where:
Base-Base interactions energy: -137.144
where: short stacking energy: -60.622
Base-Backbone interact. energy: -0.091
local terms energy: -58.448566
where:
bonds (distance) C4'-P energy: -8.225
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -12.484
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -16.344
Dist. restrs. and SS energy: 7.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -169.866178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.866178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.698366 (E_RNA)
where:
Base-Base interactions energy: -122.226
where: short stacking energy: -48.234
Base-Backbone interact. energy: -0.139
local terms energy: -53.333174
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -10.570
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -8.559
Dist. restrs. and SS energy: 5.832 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -217.785938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.785938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.785938 (E_RNA)
where:
Base-Base interactions energy: -149.519
where: short stacking energy: -65.162
Base-Backbone interact. energy: -0.004
local terms energy: -68.262863
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -12.814
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: 2, replica: 2
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -218.440882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.440882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.532281 (E_RNA)
where:
Base-Base interactions energy: -154.892
where: short stacking energy: -56.923
Base-Backbone interact. energy: -0.295
local terms energy: -63.345977
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -8.397
tors. eta vs tors. theta energy: -14.924
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -228.497077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.497077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.550086 (E_RNA)
where:
Base-Base interactions energy: -161.908
where: short stacking energy: -61.518
Base-Backbone interact. energy: -0.242
local terms energy: -66.400272
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -6.546
tors. eta vs tors. theta energy: -15.248
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -215.381883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.381883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.381883 (E_RNA)
where:
Base-Base interactions energy: -151.073
where: short stacking energy: -62.435
Base-Backbone interact. energy: -0.006
local terms energy: -64.302991
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -10.505
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -18.003
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -207.208055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.208055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.227415 (E_RNA)
where:
Base-Base interactions energy: -147.744
where: short stacking energy: -59.789
Base-Backbone interact. energy: -0.057
local terms energy: -59.426225
where:
bonds (distance) C4'-P energy: -7.996
bonds (distance) P-C4' energy: -12.081
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -15.150
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: 7
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -199.562863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.562863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.562863 (E_RNA)
where:
Base-Base interactions energy: -141.646
where: short stacking energy: -57.253
Base-Backbone interact. energy: -0.317
local terms energy: -57.599878
where:
bonds (distance) C4'-P energy: -10.033
bonds (distance) P-C4' energy: -8.799
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -17.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -205.544066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.544066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.616996 (E_RNA)
where:
Base-Base interactions energy: -142.714
where: short stacking energy: -55.112
Base-Backbone interact. energy: -0.062
local terms energy: -62.841434
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -11.303
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -11.729
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -191.494068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.494068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.617556 (E_RNA)
where:
Base-Base interactions energy: -130.279
where: short stacking energy: -46.733
Base-Backbone interact. energy: -0.024
local terms energy: -61.314293
where:
bonds (distance) C4'-P energy: -9.497
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -10.718
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -177.293205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.293205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.528020 (E_RNA)
where:
Base-Base interactions energy: -135.454
where: short stacking energy: -53.843
Base-Backbone interact. energy: -0.357
local terms energy: -49.716957
where:
bonds (distance) C4'-P energy: -9.258
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -10.406
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -10.188
Dist. restrs. and SS energy: 8.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -168.788842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.788842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.270554 (E_RNA)
where:
Base-Base interactions energy: -125.608
where: short stacking energy: -56.119
Base-Backbone interact. energy: 0.643
local terms energy: -51.306094
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -7.062
flat angles C4'-P-C4' energy: -8.513
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -12.536
Dist. restrs. and SS energy: 7.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -223.447038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.447038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.529810 (E_RNA)
where:
Base-Base interactions energy: -151.699
where: short stacking energy: -66.009
Base-Backbone interact. energy: -0.001
local terms energy: -71.829961
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -18.701
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -221.327523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.327523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.372051 (E_RNA)
where:
Base-Base interactions energy: -162.061
where: short stacking energy: -68.529
Base-Backbone interact. energy: -0.578
local terms energy: -58.733613
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -13.540
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: 48
Temperature: 1.000000
Total energy: -230.339837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.339837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.429303 (E_RNA)
where:
Base-Base interactions energy: -171.344
where: short stacking energy: -66.042
Base-Backbone interact. energy: -0.000
local terms energy: -59.084723
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -10.735
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -4.811
tors. eta vs tors. theta energy: -15.348
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -212.739651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.739651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.804444 (E_RNA)
where:
Base-Base interactions energy: -144.813
where: short stacking energy: -58.202
Base-Backbone interact. energy: -0.000
local terms energy: -67.990820
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -15.909
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: 48
Temperature: 1.100000
Total energy: -209.548993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.548993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.621597 (E_RNA)
where:
Base-Base interactions energy: -146.652
where: short stacking energy: -60.535
Base-Backbone interact. energy: -0.042
local terms energy: -62.927496
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: -6.454
tors. eta vs tors. theta energy: -16.813
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: 48
Temperature: 1.150000
Total energy: -208.479731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.479731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.577467 (E_RNA)
where:
Base-Base interactions energy: -149.254
where: short stacking energy: -64.313
Base-Backbone interact. energy: -0.015
local terms energy: -59.308351
where:
bonds (distance) C4'-P energy: -12.497
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -10.205
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -15.468
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: 1
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -201.386038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.386038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.440532 (E_RNA)
where:
Base-Base interactions energy: -142.738
where: short stacking energy: -59.453
Base-Backbone interact. energy: -0.013
local terms energy: -58.689494
where:
bonds (distance) C4'-P energy: -6.828
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -15.698
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: 9
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -191.639880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.639880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.678981 (E_RNA)
where:
Base-Base interactions energy: -129.798
where: short stacking energy: -53.143
Base-Backbone interact. energy: 0.205
local terms energy: -62.085862
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -12.023
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -9.010
tors. eta vs tors. theta energy: -14.435
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: 48
Temperature: 1.300000
Total energy: -178.410455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.410455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.011049 (E_RNA)
where:
Base-Base interactions energy: -127.489
where: short stacking energy: -56.075
Base-Backbone interact. energy: -0.014
local terms energy: -57.508067
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -12.329
flat angles C4'-P-C4' energy: -10.486
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -12.958
Dist. restrs. and SS energy: 6.601 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -177.595695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.595695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.967713 (E_RNA)
where:
Base-Base interactions energy: -124.830
where: short stacking energy: -45.984
Base-Backbone interact. energy: 1.922
local terms energy: -61.060221
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -14.099
Dist. restrs. and SS energy: 6.372 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -220.915697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.915697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.980401 (E_RNA)
where:
Base-Base interactions energy: -160.343
where: short stacking energy: -61.269
Base-Backbone interact. energy: -0.000
local terms energy: -60.637365
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -6.529
tors. eta vs tors. theta energy: -16.685
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: 3
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -230.763386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.763386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.902750 (E_RNA)
where:
Base-Base interactions energy: -168.671
where: short stacking energy: -65.285
Base-Backbone interact. energy: -0.054
local terms energy: -62.177832
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -3.333
tors. eta vs tors. theta energy: -18.418
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: 10
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -208.695964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.695964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.720153 (E_RNA)
where:
Base-Base interactions energy: -148.994
where: short stacking energy: -58.656
Base-Backbone interact. energy: -0.030
local terms energy: -59.696500
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -11.128
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -10.760
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: 49
Temperature: 1.050000
Total energy: -202.108536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.108536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.225840 (E_RNA)
where:
Base-Base interactions energy: -144.720
where: short stacking energy: -58.507
Base-Backbone interact. energy: -0.333
local terms energy: -57.172137
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -10.821
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -4.974
tors. eta vs tors. theta energy: -16.107
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: 8
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -209.854552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.854552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.892779 (E_RNA)
where:
Base-Base interactions energy: -143.149
where: short stacking energy: -58.929
Base-Backbone interact. energy: 0.099
local terms energy: -66.842827
where:
bonds (distance) C4'-P energy: -9.002
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -13.082
tors. eta vs tors. theta energy: -16.748
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -198.027003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.027003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.035077 (E_RNA)
where:
Base-Base interactions energy: -137.075
where: short stacking energy: -55.854
Base-Backbone interact. energy: -0.003
local terms energy: -60.957440
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -11.501
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -15.255
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: 49
Temperature: 1.200000
Total energy: -203.487133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.487133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.533141 (E_RNA)
where:
Base-Base interactions energy: -148.287
where: short stacking energy: -62.272
Base-Backbone interact. energy: 1.488
local terms energy: -56.734152
where:
bonds (distance) C4'-P energy: -8.553
bonds (distance) P-C4' energy: -11.603
flat angles C4'-P-C4' energy: -11.632
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -16.427
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: 9
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -210.740228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.740228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.837888 (E_RNA)
where:
Base-Base interactions energy: -143.684
where: short stacking energy: -60.979
Base-Backbone interact. energy: 0.401
local terms energy: -67.554875
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -12.822
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: -16.474
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: 5
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -183.419679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.419679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.312566 (E_RNA)
where:
Base-Base interactions energy: -129.537
where: short stacking energy: -59.356
Base-Backbone interact. energy: -0.001
local terms energy: -60.774595
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -10.898
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -14.957
Dist. restrs. and SS energy: 6.893 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -172.162370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.162370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.392666 (E_RNA)
where:
Base-Base interactions energy: -129.283
where: short stacking energy: -57.216
Base-Backbone interact. energy: -0.016
local terms energy: -51.093400
where:
bonds (distance) C4'-P energy: -9.369
bonds (distance) P-C4' energy: -10.744
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -6.339
tors. eta vs tors. theta energy: -13.962
Dist. restrs. and SS energy: 8.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -239.914040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.914040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.054649 (E_RNA)
where:
Base-Base interactions energy: -175.213
where: short stacking energy: -71.285
Base-Backbone interact. energy: -0.062
local terms energy: -64.780138
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -4.315
tors. eta vs tors. theta energy: -18.934
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: 2
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -219.851870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.851870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.938593 (E_RNA)
where:
Base-Base interactions energy: -150.708
where: short stacking energy: -61.170
Base-Backbone interact. energy: -0.238
local terms energy: -68.992727
where:
bonds (distance) C4'-P energy: -10.456
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -18.947
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: 7
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -212.321349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.321349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.394862 (E_RNA)
where:
Base-Base interactions energy: -141.834
where: short stacking energy: -57.664
Base-Backbone interact. energy: -0.013
local terms energy: -70.548324
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -16.745
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: 50
Temperature: 1.050000
Total energy: -210.342465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.342465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.342465 (E_RNA)
where:
Base-Base interactions energy: -152.383
where: short stacking energy: -60.446
Base-Backbone interact. energy: -0.449
local terms energy: -57.510107
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -11.338
flat angles P-C4'-P energy: -7.398
tors. eta vs tors. theta energy: -11.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -212.367027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.367027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.501884 (E_RNA)
where:
Base-Base interactions energy: -151.792
where: short stacking energy: -61.949
Base-Backbone interact. energy: -0.024
local terms energy: -60.686233
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -10.331
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -6.210
tors. eta vs tors. theta energy: -15.775
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -210.025190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.025190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.057403 (E_RNA)
where:
Base-Base interactions energy: -151.246
where: short stacking energy: -58.059
Base-Backbone interact. energy: -0.789
local terms energy: -58.023060
where:
bonds (distance) C4'-P energy: -9.979
bonds (distance) P-C4' energy: -13.601
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -13.899
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -198.106005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.106005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.134260 (E_RNA)
where:
Base-Base interactions energy: -141.632
where: short stacking energy: -59.236
Base-Backbone interact. energy: -0.280
local terms energy: -56.222451
where:
bonds (distance) C4'-P energy: -7.131
bonds (distance) P-C4' energy: -11.411
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -9.351
tors. eta vs tors. theta energy: -15.227
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -194.399917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.399917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.721994 (E_RNA)
where:
Base-Base interactions energy: -136.953
where: short stacking energy: -53.294
Base-Backbone interact. energy: -0.104
local terms energy: -57.665405
where:
bonds (distance) C4'-P energy: -8.663
bonds (distance) P-C4' energy: -10.584
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -15.161
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: 4
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -172.273840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.273840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.281448 (E_RNA)
where:
Base-Base interactions energy: -120.659
where: short stacking energy: -51.836
Base-Backbone interact. energy: -0.157
local terms energy: -59.465644
where:
bonds (distance) C4'-P energy: -10.128
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -13.471
Dist. restrs. and SS energy: 8.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -169.440555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.440555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.222289 (E_RNA)
where:
Base-Base interactions energy: -122.258
where: short stacking energy: -53.198
Base-Backbone interact. energy: -0.023
local terms energy: -53.940910
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -12.667
flat angles C4'-P-C4' energy: -10.299
flat angles P-C4'-P energy: -6.818
tors. eta vs tors. theta energy: -11.714
Dist. restrs. and SS energy: 6.782 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -227.508743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.508743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.519097 (E_RNA)
where:
Base-Base interactions energy: -168.458
where: short stacking energy: -65.036
Base-Backbone interact. energy: -0.013
local terms energy: -59.048876
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -11.034
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: -15.367
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: 51
Temperature: 0.950000
Total energy: -216.476906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.476906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.504903 (E_RNA)
where:
Base-Base interactions energy: -151.854
where: short stacking energy: -60.206
Base-Backbone interact. energy: 0.924
local terms energy: -65.574697
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -10.740
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -16.740
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: 7
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -216.411987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.411987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.411987 (E_RNA)
where:
Base-Base interactions energy: -158.420
where: short stacking energy: -60.619
Base-Backbone interact. energy: -0.026
local terms energy: -57.965976
where:
bonds (distance) C4'-P energy: -11.284
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -6.560
tors. eta vs tors. theta energy: -14.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -213.463688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.463688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.495948 (E_RNA)
where:
Base-Base interactions energy: -147.559
where: short stacking energy: -60.527
Base-Backbone interact. energy: -0.012
local terms energy: -65.925529
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -6.001
tors. eta vs tors. theta energy: -16.980
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -207.890535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.890535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.046416 (E_RNA)
where:
Base-Base interactions energy: -149.997
where: short stacking energy: -60.404
Base-Backbone interact. energy: -0.050
local terms energy: -57.999059
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -10.383
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -16.193
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: 51
Temperature: 1.150000
Total energy: -206.995284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.995284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.008144 (E_RNA)
where:
Base-Base interactions energy: -144.537
where: short stacking energy: -61.796
Base-Backbone interact. energy: -0.001
local terms energy: -62.469859
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -14.421
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: 51
Temperature: 1.200000
Total energy: -207.427705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.427705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.476745 (E_RNA)
where:
Base-Base interactions energy: -155.029
where: short stacking energy: -58.577
Base-Backbone interact. energy: -0.067
local terms energy: -52.381466
where:
bonds (distance) C4'-P energy: -7.781
bonds (distance) P-C4' energy: -9.542
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -5.877
tors. eta vs tors. theta energy: -14.147
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: 9
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -196.190069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.190069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.483850 (E_RNA)
where:
Base-Base interactions energy: -133.577
where: short stacking energy: -57.349
Base-Backbone interact. energy: -0.022
local terms energy: -62.884819
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -15.046
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: 4
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -173.917768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.917768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.669024 (E_RNA)
where:
Base-Base interactions energy: -124.918
where: short stacking energy: -49.488
Base-Backbone interact. energy: 0.428
local terms energy: -58.179360
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -12.573
flat angles C4'-P-C4' energy: -11.731
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -10.683
Dist. restrs. and SS energy: 8.751 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -170.441829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.441829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.908027 (E_RNA)
where:
Base-Base interactions energy: -122.574
where: short stacking energy: -47.994
Base-Backbone interact. energy: 1.237
local terms energy: -55.571451
where:
bonds (distance) C4'-P energy: -8.034
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -5.986
tors. eta vs tors. theta energy: -14.073
Dist. restrs. and SS energy: 6.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -224.596676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.596676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.596676 (E_RNA)
where:
Base-Base interactions energy: -153.565
where: short stacking energy: -66.757
Base-Backbone interact. energy: -0.001
local terms energy: -71.030872
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -17.625
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -230.413855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.413855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.544549 (E_RNA)
where:
Base-Base interactions energy: -171.609
where: short stacking energy: -69.810
Base-Backbone interact. energy: -0.341
local terms energy: -58.595017
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -10.548
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: -15.862
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -230.474060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.474060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.537757 (E_RNA)
where:
Base-Base interactions energy: -171.300
where: short stacking energy: -69.617
Base-Backbone interact. energy: -0.142
local terms energy: -59.095443
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -5.962
tors. eta vs tors. theta energy: -16.362
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -207.817858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.817858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.829317 (E_RNA)
where:
Base-Base interactions energy: -146.058
where: short stacking energy: -59.043
Base-Backbone interact. energy: -0.000
local terms energy: -61.770397
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -13.140
flat angles C4'-P-C4' energy: -12.011
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -15.402
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -211.283357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.283357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.320633 (E_RNA)
where:
Base-Base interactions energy: -147.081
where: short stacking energy: -57.948
Base-Backbone interact. energy: -0.220
local terms energy: -64.018893
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -11.590
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -9.180
tors. eta vs tors. theta energy: -16.101
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -203.131892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.131892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.187874 (E_RNA)
where:
Base-Base interactions energy: -142.191
where: short stacking energy: -56.986
Base-Backbone interact. energy: 0.254
local terms energy: -61.250996
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -11.133
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -15.924
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: 9
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -205.057482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.057482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.071813 (E_RNA)
where:
Base-Base interactions energy: -144.390
where: short stacking energy: -59.905
Base-Backbone interact. energy: -0.091
local terms energy: -60.590535
where:
bonds (distance) C4'-P energy: -10.766
bonds (distance) P-C4' energy: -11.376
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -13.982
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: 1
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -202.707388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.707388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.710302 (E_RNA)
where:
Base-Base interactions energy: -145.466
where: short stacking energy: -59.419
Base-Backbone interact. energy: -0.002
local terms energy: -57.242532
where:
bonds (distance) C4'-P energy: -7.333
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -10.500
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -17.757
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -176.968919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.968919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.779722 (E_RNA)
where:
Base-Base interactions energy: -127.557
where: short stacking energy: -47.729
Base-Backbone interact. energy: -0.099
local terms energy: -57.124241
where:
bonds (distance) C4'-P energy: -9.606
bonds (distance) P-C4' energy: -10.904
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -14.348
Dist. restrs. and SS energy: 7.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -169.173784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.173784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.263894 (E_RNA)
where:
Base-Base interactions energy: -121.364
where: short stacking energy: -55.866
Base-Backbone interact. energy: -0.778
local terms energy: -55.122585
where:
bonds (distance) C4'-P energy: -9.487
bonds (distance) P-C4' energy: -11.060
flat angles C4'-P-C4' energy: -11.679
flat angles P-C4'-P energy: -7.075
tors. eta vs tors. theta energy: -15.821
Dist. restrs. and SS energy: 8.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -217.318972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.318972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.354381 (E_RNA)
where:
Base-Base interactions energy: -146.035
where: short stacking energy: -63.561
Base-Backbone interact. energy: -1.349
local terms energy: -69.970032
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -7.918
tors. eta vs tors. theta energy: -17.441
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: 53
Temperature: 0.950000
Total energy: -216.143594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.143594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.308384 (E_RNA)
where:
Base-Base interactions energy: -149.348
where: short stacking energy: -62.512
Base-Backbone interact. energy: -0.798
local terms energy: -66.162142
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -11.624
flat angles C4'-P-C4' energy: -11.293
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -17.801
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -232.604746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.604746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.656218 (E_RNA)
where:
Base-Base interactions energy: -170.714
where: short stacking energy: -67.349
Base-Backbone interact. energy: -0.239
local terms energy: -61.702656
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -3.638
tors. eta vs tors. theta energy: -18.100
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -214.769609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.769609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.781125 (E_RNA)
where:
Base-Base interactions energy: -146.870
where: short stacking energy: -59.915
Base-Backbone interact. energy: -0.000
local terms energy: -67.911427
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -12.784
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -16.481
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: 6
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -211.569415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.569415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.579129 (E_RNA)
where:
Base-Base interactions energy: -146.505
where: short stacking energy: -56.132
Base-Backbone interact. energy: -0.000
local terms energy: -65.074127
where:
bonds (distance) C4'-P energy: -10.388
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -15.388
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -203.643221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.643221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.138352 (E_RNA)
where:
Base-Base interactions energy: -148.094
where: short stacking energy: -61.966
Base-Backbone interact. energy: -0.007
local terms energy: -56.037826
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -10.609
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -3.260
tors. eta vs tors. theta energy: -16.621
Dist. restrs. and SS energy: 0.495 (S_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: 53
Temperature: 1.200000
Total energy: -212.315566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.315566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.428421 (E_RNA)
where:
Base-Base interactions energy: -152.774
where: short stacking energy: -54.055
Base-Backbone interact. energy: -0.167
local terms energy: -59.486822
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -6.886
tors. eta vs tors. theta energy: -15.862
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: 53
Temperature: 1.250000
Total energy: -202.712353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.712353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.893659 (E_RNA)
where:
Base-Base interactions energy: -148.253
where: short stacking energy: -57.695
Base-Backbone interact. energy: -0.005
local terms energy: -54.635076
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -10.323
flat angles C4'-P-C4' energy: -9.603
flat angles P-C4'-P energy: -6.568
tors. eta vs tors. theta energy: -16.129
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: 5
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -188.169816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.169816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.624557 (E_RNA)
where:
Base-Base interactions energy: -133.576
where: short stacking energy: -55.373
Base-Backbone interact. energy: -0.885
local terms energy: -62.163294
where:
bonds (distance) C4'-P energy: -9.918
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -13.550
Dist. restrs. and SS energy: 8.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -178.098885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.098885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.381369 (E_RNA)
where:
Base-Base interactions energy: -126.122
where: short stacking energy: -51.111
Base-Backbone interact. energy: 0.388
local terms energy: -59.646874
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -10.645
Dist. restrs. and SS energy: 7.282 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -227.847385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.847385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.847385 (E_RNA)
where:
Base-Base interactions energy: -166.698
where: short stacking energy: -68.813
Base-Backbone interact. energy: -0.000
local terms energy: -61.149234
where:
bonds (distance) C4'-P energy: -10.553
bonds (distance) P-C4' energy: -9.415
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -17.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -222.599932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.599932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.672183 (E_RNA)
where:
Base-Base interactions energy: -153.189
where: short stacking energy: -65.388
Base-Backbone interact. energy: -0.813
local terms energy: -68.670288
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -14.163
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: 8
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -223.503895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.503895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.604198 (E_RNA)
where:
Base-Base interactions energy: -160.314
where: short stacking energy: -67.811
Base-Backbone interact. energy: -0.020
local terms energy: -63.270151
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -11.499
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: 3
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -226.412505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.412505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.412505 (E_RNA)
where:
Base-Base interactions energy: -169.993
where: short stacking energy: -66.259
Base-Backbone interact. energy: -0.004
local terms energy: -56.415185
where:
bonds (distance) C4'-P energy: -8.947
bonds (distance) P-C4' energy: -10.235
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -5.585
tors. eta vs tors. theta energy: -18.434
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -200.205536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.205536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.543439 (E_RNA)
where:
Base-Base interactions energy: -144.086
where: short stacking energy: -62.317
Base-Backbone interact. energy: -0.151
local terms energy: -56.306166
where:
bonds (distance) C4'-P energy: -9.689
bonds (distance) P-C4' energy: -10.591
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -15.048
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: 6, replica: 6
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -203.776812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.776812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.776812 (E_RNA)
where:
Base-Base interactions energy: -140.513
where: short stacking energy: -55.282
Base-Backbone interact. energy: -0.012
local terms energy: -63.251722
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -12.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -202.020110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.020110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.036030 (E_RNA)
where:
Base-Base interactions energy: -146.394
where: short stacking energy: -55.409
Base-Backbone interact. energy: -0.002
local terms energy: -55.639560
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -7.043
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -14.330
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: 54
Temperature: 1.250000
Total energy: -193.744217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.744217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.744217 (E_RNA)
where:
Base-Base interactions energy: -146.776
where: short stacking energy: -57.470
Base-Backbone interact. energy: -0.292
local terms energy: -46.676007
where:
bonds (distance) C4'-P energy: -6.949
bonds (distance) P-C4' energy: -5.017
flat angles C4'-P-C4' energy: -11.351
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -14.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -179.641830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.641830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.290989 (E_RNA)
where:
Base-Base interactions energy: -125.641
where: short stacking energy: -56.539
Base-Backbone interact. energy: 0.100
local terms energy: -61.750257
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -13.613
Dist. restrs. and SS energy: 7.649 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -172.840081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.840081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.027658 (E_RNA)
where:
Base-Base interactions energy: -123.728
where: short stacking energy: -53.460
Base-Backbone interact. energy: -0.003
local terms energy: -55.297512
where:
bonds (distance) C4'-P energy: -9.448
bonds (distance) P-C4' energy: -12.545
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -11.124
Dist. restrs. and SS energy: 6.188 (S_DIST_RNA)
chem. 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: -219.731198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.731198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.016982 (E_RNA)
where:
Base-Base interactions energy: -150.243
where: short stacking energy: -61.895
Base-Backbone interact. energy: -0.720
local terms energy: -69.054318
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -6.649
tors. eta vs tors. theta energy: -18.437
Dist. restrs. and SS energy: 0.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -219.690827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.690827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.690827 (E_RNA)
where:
Base-Base interactions energy: -152.800
where: short stacking energy: -59.521
Base-Backbone interact. energy: -0.077
local terms energy: -66.813458
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -15.027
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -226.721111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.721111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.735917 (E_RNA)
where:
Base-Base interactions energy: -162.202
where: short stacking energy: -63.640
Base-Backbone interact. energy: -0.000
local terms energy: -64.533511
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -11.941
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -5.973
tors. eta vs tors. theta energy: -18.716
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -212.088608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.088608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.097112 (E_RNA)
where:
Base-Base interactions energy: -146.234
where: short stacking energy: -63.197
Base-Backbone interact. energy: -0.001
local terms energy: -65.862372
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -15.253
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -211.568620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.568620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.570406 (E_RNA)
where:
Base-Base interactions energy: -148.203
where: short stacking energy: -53.119
Base-Backbone interact. energy: -0.107
local terms energy: -63.260382
where:
bonds (distance) C4'-P energy: -10.761
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -15.880
flat angles P-C4'-P energy: -6.968
tors. eta vs tors. theta energy: -15.178
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -207.186809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.186809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.213322 (E_RNA)
where:
Base-Base interactions energy: -146.555
where: short stacking energy: -60.226
Base-Backbone interact. energy: -0.054
local terms energy: -60.603978
where:
bonds (distance) C4'-P energy: -8.985
bonds (distance) P-C4' energy: -10.337
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -16.506
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -210.491952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.491952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.591596 (E_RNA)
where:
Base-Base interactions energy: -158.497
where: short stacking energy: -63.741
Base-Backbone interact. energy: -0.004
local terms energy: -52.091213
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -9.351
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -2.200
tors. eta vs tors. theta energy: -13.513
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -200.842432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.842432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.104156 (E_RNA)
where:
Base-Base interactions energy: -141.247
where: short stacking energy: -60.203
Base-Backbone interact. energy: -0.283
local terms energy: -59.574791
where:
bonds (distance) C4'-P energy: -11.208
bonds (distance) P-C4' energy: -12.311
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -6.254
tors. eta vs tors. theta energy: -15.975
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: 9, replica: 4
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -177.627323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.627323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.906175 (E_RNA)
where:
Base-Base interactions energy: -122.031
where: short stacking energy: -51.843
Base-Backbone interact. energy: -0.002
local terms energy: -63.873506
where:
bonds (distance) C4'-P energy: -8.911
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -16.159
Dist. restrs. and SS energy: 8.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -175.744064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.744064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.763446 (E_RNA)
where:
Base-Base interactions energy: -131.784
where: short stacking energy: -55.387
Base-Backbone interact. energy: -0.048
local terms energy: -51.931444
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -11.152
flat angles C4'-P-C4' energy: -8.150
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -14.042
Dist. restrs. and SS energy: 8.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -233.654678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.654678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.669715 (E_RNA)
where:
Base-Base interactions energy: -171.410
where: short stacking energy: -69.454
Base-Backbone interact. energy: -0.076
local terms energy: -62.183012
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -6.114
tors. eta vs tors. theta energy: -17.416
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -225.358290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.358290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.358290 (E_RNA)
where:
Base-Base interactions energy: -168.183
where: short stacking energy: -66.253
Base-Backbone interact. energy: -0.006
local terms energy: -57.169830
where:
bonds (distance) C4'-P energy: -8.996
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -5.316
tors. eta vs tors. theta energy: -16.230
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -210.518704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.518704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.777990 (E_RNA)
where:
Base-Base interactions energy: -145.169
where: short stacking energy: -62.057
Base-Backbone interact. energy: -0.138
local terms energy: -65.471425
where:
bonds (distance) C4'-P energy: -13.897
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -14.802
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: 4, replica: 9
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -210.075147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.075147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.119787 (E_RNA)
where:
Base-Base interactions energy: -145.275
where: short stacking energy: -59.634
Base-Backbone interact. energy: 0.200
local terms energy: -65.044512
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -11.213
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -16.670
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: 10
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -205.112497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.112497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.163866 (E_RNA)
where:
Base-Base interactions energy: -140.871
where: short stacking energy: -54.088
Base-Backbone interact. energy: -0.003
local terms energy: -64.289831
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -10.158
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -11.838
tors. eta vs tors. theta energy: -16.230
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -198.528904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.528904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.678911 (E_RNA)
where:
Base-Base interactions energy: -141.067
where: short stacking energy: -54.060
Base-Backbone interact. energy: 0.411
local terms energy: -58.022380
where:
bonds (distance) C4'-P energy: -4.954
bonds (distance) P-C4' energy: -12.580
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -13.783
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -202.167112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.167112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.317354 (E_RNA)
where:
Base-Base interactions energy: -143.626
where: short stacking energy: -58.455
Base-Backbone interact. energy: -0.003
local terms energy: -58.688183
where:
bonds (distance) C4'-P energy: -8.295
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -4.774
tors. eta vs tors. theta energy: -16.267
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: 6
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -197.067741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.067741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.147834 (E_RNA)
where:
Base-Base interactions energy: -141.854
where: short stacking energy: -56.773
Base-Backbone interact. energy: -0.098
local terms energy: -55.195609
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -5.945
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -14.362
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: 4
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -179.842721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.842721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.999618 (E_RNA)
where:
Base-Base interactions energy: -132.581
where: short stacking energy: -58.141
Base-Backbone interact. energy: -0.316
local terms energy: -55.102226
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -8.218
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -14.322
Dist. restrs. and SS energy: 8.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -171.847860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.847860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.907476 (E_RNA)
where:
Base-Base interactions energy: -126.122
where: short stacking energy: -48.066
Base-Backbone interact. energy: -0.602
local terms energy: -52.183876
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -10.443
flat angles P-C4'-P energy: -3.988
tors. eta vs tors. theta energy: -11.886
Dist. restrs. and SS energy: 7.060 (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: 7
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -238.692477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.692477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.692477 (E_RNA)
where:
Base-Base interactions energy: -173.134
where: short stacking energy: -68.071
Base-Backbone interact. energy: -0.291
local terms energy: -65.267389
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -5.316
tors. eta vs tors. theta energy: -18.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -217.291848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.291848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.343209 (E_RNA)
where:
Base-Base interactions energy: -148.308
where: short stacking energy: -61.220
Base-Backbone interact. energy: 0.660
local terms energy: -69.695637
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -18.321
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: 57
Temperature: 1.000000
Total energy: -232.899514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.899514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.053972 (E_RNA)
where:
Base-Base interactions energy: -165.394
where: short stacking energy: -68.738
Base-Backbone interact. energy: -0.606
local terms energy: -67.053379
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -6.092
tors. eta vs tors. theta energy: -17.678
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -209.770416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.770416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.794734 (E_RNA)
where:
Base-Base interactions energy: -147.809
where: short stacking energy: -55.475
Base-Backbone interact. energy: -0.001
local terms energy: -61.985456
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -12.619
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -211.962528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.962528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.991245 (E_RNA)
where:
Base-Base interactions energy: -143.618
where: short stacking energy: -59.774
Base-Backbone interact. energy: -0.060
local terms energy: -68.313163
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -12.551
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -18.196
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: 1
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -208.175970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.175970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.199473 (E_RNA)
where:
Base-Base interactions energy: -145.852
where: short stacking energy: -59.653
Base-Backbone interact. energy: 1.694
local terms energy: -64.041561
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -12.941
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -197.383951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.383951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.394605 (E_RNA)
where:
Base-Base interactions energy: -136.600
where: short stacking energy: -48.739
Base-Backbone interact. energy: -0.100
local terms energy: -60.694431
where:
bonds (distance) C4'-P energy: -11.857
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -6.214
tors. eta vs tors. theta energy: -14.567
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: 57
Temperature: 1.250000
Total energy: -183.740010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.740010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.563419 (E_RNA)
where:
Base-Base interactions energy: -134.144
where: short stacking energy: -49.341
Base-Backbone interact. energy: -0.003
local terms energy: -57.416086
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -14.828
flat angles P-C4'-P energy: -5.036
tors. eta vs tors. theta energy: -16.288
Dist. restrs. and SS energy: 7.823 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -199.039936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.039936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.151183 (E_RNA)
where:
Base-Base interactions energy: -139.346
where: short stacking energy: -53.690
Base-Backbone interact. energy: -0.001
local terms energy: -59.803855
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -11.588
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -12.454
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -178.067911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.067911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.853236 (E_RNA)
where:
Base-Base interactions energy: -131.435
where: short stacking energy: -58.720
Base-Backbone interact. energy: -0.052
local terms energy: -52.365305
where:
bonds (distance) C4'-P energy: -11.063
bonds (distance) P-C4' energy: -10.522
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -4.844
tors. eta vs tors. theta energy: -14.223
Dist. restrs. and SS energy: 5.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -238.614102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.614102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.622113 (E_RNA)
where:
Base-Base interactions energy: -171.761
where: short stacking energy: -72.055
Base-Backbone interact. energy: -0.003
local terms energy: -66.858526
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -15.320
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -5.446
tors. eta vs tors. theta energy: -17.710
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -215.518157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.518157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.531158 (E_RNA)
where:
Base-Base interactions energy: -153.341
where: short stacking energy: -64.051
Base-Backbone interact. energy: -0.001
local terms energy: -62.188369
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -10.450
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -17.786
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -215.168555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.168555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.212361 (E_RNA)
where:
Base-Base interactions energy: -151.369
where: short stacking energy: -65.399
Base-Backbone interact. energy: 0.417
local terms energy: -64.260824
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -11.758
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -16.590
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -215.814843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.814843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.938397 (E_RNA)
where:
Base-Base interactions energy: -161.265
where: short stacking energy: -67.812
Base-Backbone interact. energy: -0.042
local terms energy: -54.632325
where:
bonds (distance) C4'-P energy: -7.016
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -5.682
tors. eta vs tors. theta energy: -15.944
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: 5, replica: 1
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -204.977990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.977990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.977990 (E_RNA)
where:
Base-Base interactions energy: -146.439
where: short stacking energy: -57.717
Base-Backbone interact. energy: -0.080
local terms energy: -58.458106
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -11.352
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -5.852
tors. eta vs tors. theta energy: -15.359
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: 9
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -201.337645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.337645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.392653 (E_RNA)
where:
Base-Base interactions energy: -142.375
where: short stacking energy: -59.981
Base-Backbone interact. energy: -0.036
local terms energy: -58.982059
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -10.223
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -6.662
tors. eta vs tors. theta energy: -15.566
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: 3
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -206.011175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.011175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.045454 (E_RNA)
where:
Base-Base interactions energy: -147.976
where: short stacking energy: -55.656
Base-Backbone interact. energy: -0.001
local terms energy: -58.068319
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -10.651
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -6.516
tors. eta vs tors. theta energy: -14.404
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: 4
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -176.698475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.698475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.169179 (E_RNA)
where:
Base-Base interactions energy: -133.725
where: short stacking energy: -49.017
Base-Backbone interact. energy: -0.321
local terms energy: -49.123116
where:
bonds (distance) C4'-P energy: -8.749
bonds (distance) P-C4' energy: -10.497
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -6.816
tors. eta vs tors. theta energy: -10.884
Dist. restrs. and SS energy: 6.471 (S_DIST_RNA)
chem. 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: -195.922374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.922374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.960472 (E_RNA)
where:
Base-Base interactions energy: -130.198
where: short stacking energy: -50.643
Base-Backbone interact. energy: -0.219
local terms energy: -65.543841
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -15.573
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -167.034367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.034367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.719947 (E_RNA)
where:
Base-Base interactions energy: -119.320
where: short stacking energy: -44.128
Base-Backbone interact. energy: -0.110
local terms energy: -55.290262
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -9.591
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -11.804
Dist. restrs. and SS energy: 7.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -234.051236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.051236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.075280 (E_RNA)
where:
Base-Base interactions energy: -170.184
where: short stacking energy: -70.354
Base-Backbone interact. energy: -0.024
local terms energy: -63.866444
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -12.686
flat angles C4'-P-C4' energy: -11.560
flat angles P-C4'-P energy: -7.292
tors. eta vs tors. theta energy: -17.833
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -223.676915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.676915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.732929 (E_RNA)
where:
Base-Base interactions energy: -162.289
where: short stacking energy: -70.336
Base-Backbone interact. energy: -0.003
local terms energy: -61.441806
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -11.471
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -6.285
tors. eta vs tors. theta energy: -17.517
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: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -217.943538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.943538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.958643 (E_RNA)
where:
Base-Base interactions energy: -148.789
where: short stacking energy: -64.082
Base-Backbone interact. energy: -0.214
local terms energy: -68.955300
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -14.093
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -15.299
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: 4, replica: 1
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -214.934103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.934103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.934103 (E_RNA)
where:
Base-Base interactions energy: -149.341
where: short stacking energy: -64.116
Base-Backbone interact. energy: -0.281
local terms energy: -65.311352
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -10.511
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -16.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -203.348175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.348175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.407243 (E_RNA)
where:
Base-Base interactions energy: -146.450
where: short stacking energy: -62.376
Base-Backbone interact. energy: -0.156
local terms energy: -56.801243
where:
bonds (distance) C4'-P energy: -8.894
bonds (distance) P-C4' energy: -7.449
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -6.226
tors. eta vs tors. theta energy: -19.501
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -219.053390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.053390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.078715 (E_RNA)
where:
Base-Base interactions energy: -164.477
where: short stacking energy: -62.726
Base-Backbone interact. energy: -0.090
local terms energy: -54.511914
where:
bonds (distance) C4'-P energy: -10.610
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -3.164
tors. eta vs tors. theta energy: -15.086
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: 9
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -212.803114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.803114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.856855 (E_RNA)
where:
Base-Base interactions energy: -156.546
where: short stacking energy: -61.750
Base-Backbone interact. energy: -0.060
local terms energy: -56.250722
where:
bonds (distance) C4'-P energy: -10.460
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -10.144
flat angles P-C4'-P energy: -5.443
tors. eta vs tors. theta energy: -15.089
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: 6
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -196.610173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.610173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.759871 (E_RNA)
where:
Base-Base interactions energy: -141.633
where: short stacking energy: -58.960
Base-Backbone interact. energy: -0.021
local terms energy: -55.105261
where:
bonds (distance) C4'-P energy: -7.788
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -13.192
flat angles P-C4'-P energy: -6.197
tors. eta vs tors. theta energy: -13.994
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: 59
Temperature: 1.300000
Total energy: -185.316993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.316993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.274745 (E_RNA)
where:
Base-Base interactions energy: -134.785
where: short stacking energy: -57.378
Base-Backbone interact. energy: -0.015
local terms energy: -58.474880
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -2.860
tors. eta vs tors. theta energy: -16.493
Dist. restrs. and SS energy: 7.958 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -169.910406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.910406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.772984 (E_RNA)
where:
Base-Base interactions energy: -121.959
where: short stacking energy: -46.660
Base-Backbone interact. energy: -0.006
local terms energy: -55.808699
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -9.634
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -3.615
tors. eta vs tors. theta energy: -14.026
Dist. restrs. and SS energy: 7.863 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -234.356378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.356378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.374630 (E_RNA)
where:
Base-Base interactions energy: -175.731
where: short stacking energy: -73.818
Base-Backbone interact. energy: -0.004
local terms energy: -58.640224
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -7.650
flat angles C4'-P-C4' energy: -15.611
flat angles P-C4'-P energy: -3.560
tors. eta vs tors. theta energy: -17.584
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -232.539943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.539943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.556163 (E_RNA)
where:
Base-Base interactions energy: -172.791
where: short stacking energy: -67.671
Base-Backbone interact. energy: -0.001
local terms energy: -59.763441
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -13.646
flat angles P-C4'-P energy: -5.735
tors. eta vs tors. theta energy: -16.800
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -213.495932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.495932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.517343 (E_RNA)
where:
Base-Base interactions energy: -148.802
where: short stacking energy: -61.707
Base-Backbone interact. energy: -0.004
local terms energy: -64.711886
where:
bonds (distance) C4'-P energy: -8.729
bonds (distance) P-C4' energy: -11.029
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -18.718
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: 60
Temperature: 1.050000
Total energy: -208.651908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.651908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.679041 (E_RNA)
where:
Base-Base interactions energy: -141.721
where: short stacking energy: -58.629
Base-Backbone interact. energy: -0.041
local terms energy: -66.916713
where:
bonds (distance) C4'-P energy: -12.230
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -16.985
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: 8
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -207.851081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.851081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.941560 (E_RNA)
where:
Base-Base interactions energy: -142.829
where: short stacking energy: -58.856
Base-Backbone interact. energy: 0.105
local terms energy: -65.218067
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -6.960
tors. eta vs tors. theta energy: -16.405
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -209.015494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.015494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.049240 (E_RNA)
where:
Base-Base interactions energy: -145.051
where: short stacking energy: -59.413
Base-Backbone interact. energy: 0.091
local terms energy: -64.089603
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -12.683
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -16.780
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -210.034036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.034036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.050859 (E_RNA)
where:
Base-Base interactions energy: -141.899
where: short stacking energy: -58.086
Base-Backbone interact. energy: -0.043
local terms energy: -68.108130
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -18.640
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: 6
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -206.645437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.645437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.645437 (E_RNA)
where:
Base-Base interactions energy: -148.824
where: short stacking energy: -61.125
Base-Backbone interact. energy: -0.002
local terms energy: -57.819001
where:
bonds (distance) C4'-P energy: -8.895
bonds (distance) P-C4' energy: -12.392
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -13.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -181.036488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.036488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.720971 (E_RNA)
where:
Base-Base interactions energy: -125.785
where: short stacking energy: -52.764
Base-Backbone interact. energy: -0.102
local terms energy: -63.833821
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -9.524
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -16.036
Dist. restrs. and SS energy: 8.684 (S_DIST_RNA)
chem. 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: -175.712142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.712142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.110069 (E_RNA)
where:
Base-Base interactions energy: -125.513
where: short stacking energy: -53.631
Base-Backbone interact. energy: -0.348
local terms energy: -57.249157
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -9.094
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -6.753
tors. eta vs tors. theta energy: -15.368
Dist. restrs. and SS energy: 7.398 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -230.555307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.555307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.555307 (E_RNA)
where:
Base-Base interactions energy: -170.900
where: short stacking energy: -70.637
Base-Backbone interact. energy: 1.118
local terms energy: -60.772836
where:
bonds (distance) C4'-P energy: -10.762
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -2.611
tors. eta vs tors. theta energy: -18.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -220.752876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.752876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.752876 (E_RNA)
where:
Base-Base interactions energy: -161.949
where: short stacking energy: -62.051
Base-Backbone interact. energy: -0.010
local terms energy: -58.794005
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -10.184
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -14.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -214.261622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.261622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.413359 (E_RNA)
where:
Base-Base interactions energy: -153.360
where: short stacking energy: -67.366
Base-Backbone interact. energy: -0.001
local terms energy: -61.052779
where:
bonds (distance) C4'-P energy: -10.381
bonds (distance) P-C4' energy: -10.944
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -13.847
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -215.725290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.725290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.786407 (E_RNA)
where:
Base-Base interactions energy: -146.128
where: short stacking energy: -61.359
Base-Backbone interact. energy: -0.157
local terms energy: -69.501395
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -18.485
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: 2
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -205.915316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.915316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.018885 (E_RNA)
where:
Base-Base interactions energy: -139.148
where: short stacking energy: -54.860
Base-Backbone interact. energy: -0.003
local terms energy: -66.868040
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -14.178
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -13.536
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -200.690883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.690883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.690883 (E_RNA)
where:
Base-Base interactions energy: -144.564
where: short stacking energy: -56.894
Base-Backbone interact. energy: -0.374
local terms energy: -55.752923
where:
bonds (distance) C4'-P energy: -8.493
bonds (distance) P-C4' energy: -11.567
flat angles C4'-P-C4' energy: -11.562
flat angles P-C4'-P energy: -8.824
tors. eta vs tors. theta energy: -15.307
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -202.199497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.199497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.371282 (E_RNA)
where:
Base-Base interactions energy: -147.989
where: short stacking energy: -61.423
Base-Backbone interact. energy: 2.460
local terms energy: -56.842384
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -6.949
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -16.788
Dist. restrs. and SS energy: 0.172 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -200.399274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.399274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.403728 (E_RNA)
where:
Base-Base interactions energy: -142.984
where: short stacking energy: -54.904
Base-Backbone interact. energy: -0.015
local terms energy: -57.404091
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -11.129
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -10.125
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -174.532843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.532843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.925848 (E_RNA)
where:
Base-Base interactions energy: -127.779
where: short stacking energy: -51.943
Base-Backbone interact. energy: -0.300
local terms energy: -55.846894
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -8.128
flat angles C4'-P-C4' energy: -10.059
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -17.630
Dist. restrs. and SS energy: 9.393 (S_DIST_RNA)
chem. 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: -174.611078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.611078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.148822 (E_RNA)
where:
Base-Base interactions energy: -125.931
where: short stacking energy: -56.633
Base-Backbone interact. energy: -0.012
local terms energy: -54.205664
where:
bonds (distance) C4'-P energy: -9.552
bonds (distance) P-C4' energy: -10.525
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -5.862
tors. eta vs tors. theta energy: -15.225
Dist. restrs. and SS energy: 5.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -237.739720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.739720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.810006 (E_RNA)
where:
Base-Base interactions energy: -174.713
where: short stacking energy: -75.060
Base-Backbone interact. energy: -0.113
local terms energy: -62.984028
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -3.600
tors. eta vs tors. theta energy: -17.393
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: 7
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -212.505378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.505378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.505378 (E_RNA)
where:
Base-Base interactions energy: -149.668
where: short stacking energy: -58.990
Base-Backbone interact. energy: -0.082
local terms energy: -62.755338
where:
bonds (distance) C4'-P energy: -8.358
bonds (distance) P-C4' energy: -9.864
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -16.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -211.572150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.572150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.684377 (E_RNA)
where:
Base-Base interactions energy: -148.170
where: short stacking energy: -59.967
Base-Backbone interact. energy: -0.006
local terms energy: -63.508911
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -15.505
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: 62
Temperature: 1.050000
Total energy: -217.231800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.231800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.268607 (E_RNA)
where:
Base-Base interactions energy: -149.770
where: short stacking energy: -61.151
Base-Backbone interact. energy: -0.704
local terms energy: -66.794912
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -4.870
tors. eta vs tors. theta energy: -19.467
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: 62
Temperature: 1.100000
Total energy: -212.627293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.627293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.627293 (E_RNA)
where:
Base-Base interactions energy: -146.551
where: short stacking energy: -57.512
Base-Backbone interact. energy: -0.257
local terms energy: -65.819393
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -14.784
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -208.614199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.614199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.671590 (E_RNA)
where:
Base-Base interactions energy: -143.692
where: short stacking energy: -57.675
Base-Backbone interact. energy: 1.166
local terms energy: -66.146178
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -13.334
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -204.412364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.412364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.689364 (E_RNA)
where:
Base-Base interactions energy: -138.861
where: short stacking energy: -60.860
Base-Backbone interact. energy: 1.276
local terms energy: -67.104480
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -19.074
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: 3
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -201.518119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.518119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.657495 (E_RNA)
where:
Base-Base interactions energy: -146.981
where: short stacking energy: -53.881
Base-Backbone interact. energy: -0.184
local terms energy: -54.493072
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -12.297
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -5.106
tors. eta vs tors. theta energy: -13.360
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -177.690680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.690680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.574542 (E_RNA)
where:
Base-Base interactions energy: -139.872
where: short stacking energy: -60.162
Base-Backbone interact. energy: -0.104
local terms energy: -44.598530
where:
bonds (distance) C4'-P energy: -2.270
bonds (distance) P-C4' energy: -5.064
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -14.788
Dist. restrs. and SS energy: 6.884 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -176.130092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.130092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.504310 (E_RNA)
where:
Base-Base interactions energy: -128.469
where: short stacking energy: -51.774
Base-Backbone interact. energy: -0.306
local terms energy: -53.729788
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -10.349
flat angles C4'-P-C4' energy: -10.967
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -11.480
Dist. restrs. and SS energy: 6.374 (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: 10
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -229.975551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.975551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.975551 (E_RNA)
where:
Base-Base interactions energy: -167.292
where: short stacking energy: -67.447
Base-Backbone interact. energy: -0.048
local terms energy: -62.636164
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -4.529
tors. eta vs tors. theta energy: -16.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -221.393219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.393219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.414949 (E_RNA)
where:
Base-Base interactions energy: -161.295
where: short stacking energy: -68.913
Base-Backbone interact. energy: -0.122
local terms energy: -59.997808
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -10.772
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -5.842
tors. eta vs tors. theta energy: -15.255
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: 7
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -217.911314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.911314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.911314 (E_RNA)
where:
Base-Base interactions energy: -159.820
where: short stacking energy: -63.859
Base-Backbone interact. energy: -0.012
local terms energy: -58.078770
where:
bonds (distance) C4'-P energy: -9.503
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -2.720
tors. eta vs tors. theta energy: -19.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -205.390064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.390064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.585628 (E_RNA)
where:
Base-Base interactions energy: -145.412
where: short stacking energy: -51.510
Base-Backbone interact. energy: -0.004
local terms energy: -60.169809
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -9.330
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -14.172
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -215.914568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.914568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.914568 (E_RNA)
where:
Base-Base interactions energy: -154.910
where: short stacking energy: -59.114
Base-Backbone interact. energy: -0.042
local terms energy: -60.963017
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -16.000
flat angles C4'-P-C4' energy: -9.664
flat angles P-C4'-P energy: -6.299
tors. eta vs tors. theta energy: -15.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -210.568860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.568860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.620562 (E_RNA)
where:
Base-Base interactions energy: -144.507
where: short stacking energy: -60.178
Base-Backbone interact. energy: -0.248
local terms energy: -65.865804
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -16.705
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: 6
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -210.397963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.397963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.397963 (E_RNA)
where:
Base-Base interactions energy: -151.533
where: short stacking energy: -59.488
Base-Backbone interact. energy: -0.005
local terms energy: -58.860170
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -12.865
flat angles P-C4'-P energy: -6.056
tors. eta vs tors. theta energy: -14.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -179.874454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.874454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.005340 (E_RNA)
where:
Base-Base interactions energy: -131.949
where: short stacking energy: -51.872
Base-Backbone interact. energy: -1.072
local terms energy: -54.985237
where:
bonds (distance) C4'-P energy: -8.941
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -12.397
Dist. restrs. and SS energy: 8.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -201.127597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.127597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.217153 (E_RNA)
where:
Base-Base interactions energy: -146.780
where: short stacking energy: -60.087
Base-Backbone interact. energy: -0.000
local terms energy: -54.436493
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -3.539
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -15.306
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -179.843786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.843786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.188497 (E_RNA)
where:
Base-Base interactions energy: -127.867
where: short stacking energy: -55.612
Base-Backbone interact. energy: -0.138
local terms energy: -60.182964
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -11.341
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -5.670
tors. eta vs tors. theta energy: -16.930
Dist. restrs. and SS energy: 8.345 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -221.417196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.417196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.488044 (E_RNA)
where:
Base-Base interactions energy: -155.360
where: short stacking energy: -64.029
Base-Backbone interact. energy: -0.002
local terms energy: -66.126233
where:
bonds (distance) C4'-P energy: -10.736
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -16.423
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: 10
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -219.954590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.954590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.954590 (E_RNA)
where:
Base-Base interactions energy: -158.308
where: short stacking energy: -70.108
Base-Backbone interact. energy: 0.416
local terms energy: -62.062757
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -10.306
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -17.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -214.353279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.353279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.449021 (E_RNA)
where:
Base-Base interactions energy: -150.733
where: short stacking energy: -60.148
Base-Backbone interact. energy: -0.031
local terms energy: -63.685224
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -10.665
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -14.952
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: 9
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -211.175918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.175918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.276309 (E_RNA)
where:
Base-Base interactions energy: -156.006
where: short stacking energy: -58.812
Base-Backbone interact. energy: -0.095
local terms energy: -55.175186
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -3.468
tors. eta vs tors. theta energy: -13.751
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: 2
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -221.813845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.813845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.960231 (E_RNA)
where:
Base-Base interactions energy: -153.932
where: short stacking energy: -63.142
Base-Backbone interact. energy: -0.003
local terms energy: -68.025120
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -16.963
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -205.882303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.882303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.045912 (E_RNA)
where:
Base-Base interactions energy: -139.741
where: short stacking energy: -55.855
Base-Backbone interact. energy: -0.653
local terms energy: -65.652178
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -15.426
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -194.442593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.442593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.384317 (E_RNA)
where:
Base-Base interactions energy: -137.047
where: short stacking energy: -61.431
Base-Backbone interact. energy: -0.062
local terms energy: -64.275323
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -14.031
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -6.801
tors. eta vs tors. theta energy: -16.925
Dist. restrs. and SS energy: 6.942 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -196.105094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.105094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.121923 (E_RNA)
where:
Base-Base interactions energy: -137.705
where: short stacking energy: -54.284
Base-Backbone interact. energy: -0.322
local terms energy: -58.095185
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -8.708
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: -15.876
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -198.341616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.341616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.390562 (E_RNA)
where:
Base-Base interactions energy: -138.817
where: short stacking energy: -57.538
Base-Backbone interact. energy: -0.414
local terms energy: -59.160054
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -7.160
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -15.375
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -181.339925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.339925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.997887 (E_RNA)
where:
Base-Base interactions energy: -130.112
where: short stacking energy: -55.808
Base-Backbone interact. energy: -0.148
local terms energy: -59.737890
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -4.096
tors. eta vs tors. theta energy: -12.804
Dist. restrs. and SS energy: 8.658 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -217.385385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.385385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.478798 (E_RNA)
where:
Base-Base interactions energy: -149.511
where: short stacking energy: -67.104
Base-Backbone interact. energy: -0.044
local terms energy: -67.923670
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -14.697
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: 7
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -214.784854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.784854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.802308 (E_RNA)
where:
Base-Base interactions energy: -150.026
where: short stacking energy: -63.731
Base-Backbone interact. energy: -0.279
local terms energy: -64.497109
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -9.247
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -17.181
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: 10
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -216.186174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.186174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.201021 (E_RNA)
where:
Base-Base interactions energy: -146.930
where: short stacking energy: -63.287
Base-Backbone interact. energy: -0.001
local terms energy: -69.270316
where:
bonds (distance) C4'-P energy: -11.247
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -18.208
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -216.718590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.718590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.784340 (E_RNA)
where:
Base-Base interactions energy: -151.577
where: short stacking energy: -65.498
Base-Backbone interact. energy: -0.015
local terms energy: -65.193115
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -8.049
tors. eta vs tors. theta energy: -18.917
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -210.779757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.779757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.005908 (E_RNA)
where:
Base-Base interactions energy: -144.986
where: short stacking energy: -62.873
Base-Backbone interact. energy: -0.031
local terms energy: -65.989643
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -8.687
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -11.264
tors. eta vs tors. theta energy: -19.260
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: 1
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -201.201925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.201925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.238989 (E_RNA)
where:
Base-Base interactions energy: -142.556
where: short stacking energy: -60.433
Base-Backbone interact. energy: -0.013
local terms energy: -58.669020
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -11.018
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -184.307558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.307558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.297748 (E_RNA)
where:
Base-Base interactions energy: -134.840
where: short stacking energy: -60.358
Base-Backbone interact. energy: -0.251
local terms energy: -58.206846
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -10.577
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -6.701
tors. eta vs tors. theta energy: -14.010
Dist. restrs. and SS energy: 8.990 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -206.948622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.948622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.135760 (E_RNA)
where:
Base-Base interactions energy: -141.722
where: short stacking energy: -59.502
Base-Backbone interact. energy: -0.089
local terms energy: -65.324539
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -18.157
Dist. restrs. and SS energy: 0.187 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -195.031408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.031408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.068684 (E_RNA)
where:
Base-Base interactions energy: -142.755
where: short stacking energy: -57.018
Base-Backbone interact. energy: 0.507
local terms energy: -52.820811
where:
bonds (distance) C4'-P energy: -11.242
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -7.965
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -11.348
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -183.386468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.386468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.590424 (E_RNA)
where:
Base-Base interactions energy: -134.780
where: short stacking energy: -58.780
Base-Backbone interact. energy: -0.243
local terms energy: -55.567228
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -10.255
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -5.533
tors. eta vs tors. theta energy: -15.704
Dist. restrs. and SS energy: 7.204 (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: 66
Temperature: 0.900000
Total energy: -225.577886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.577886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.634801 (E_RNA)
where:
Base-Base interactions energy: -155.067
where: short stacking energy: -69.693
Base-Backbone interact. energy: 0.515
local terms energy: -71.083056
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -13.165
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -18.067
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: 8
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -221.633199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.633199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.689367 (E_RNA)
where:
Base-Base interactions energy: -147.539
where: short stacking energy: -66.477
Base-Backbone interact. energy: -0.144
local terms energy: -74.006641
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -18.423
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: 66
Temperature: 1.000000
Total energy: -212.680443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.680443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.757622 (E_RNA)
where:
Base-Base interactions energy: -143.892
where: short stacking energy: -66.534
Base-Backbone interact. energy: -0.096
local terms energy: -68.769054
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -18.405
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -217.152239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.152239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.247643 (E_RNA)
where:
Base-Base interactions energy: -150.737
where: short stacking energy: -68.882
Base-Backbone interact. energy: -0.000
local terms energy: -66.509858
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -18.957
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: 1
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -210.306780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.306780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.383148 (E_RNA)
where:
Base-Base interactions energy: -145.000
where: short stacking energy: -61.422
Base-Backbone interact. energy: -0.000
local terms energy: -65.382960
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -14.454
flat angles C4'-P-C4' energy: -11.023
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -18.923
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: 66
Temperature: 1.150000
Total energy: -201.470955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.470955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.594553 (E_RNA)
where:
Base-Base interactions energy: -141.553
where: short stacking energy: -57.239
Base-Backbone interact. energy: -0.000
local terms energy: -60.041061
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -12.556
flat angles P-C4'-P energy: -5.401
tors. eta vs tors. theta energy: -16.996
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: 66
Temperature: 1.200000
Total energy: -202.441580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.441580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.576236 (E_RNA)
where:
Base-Base interactions energy: -142.277
where: short stacking energy: -57.404
Base-Backbone interact. energy: 1.010
local terms energy: -61.309580
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -5.265
tors. eta vs tors. theta energy: -16.887
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -183.009467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.009467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.492750 (E_RNA)
where:
Base-Base interactions energy: -131.092
where: short stacking energy: -52.985
Base-Backbone interact. energy: -0.276
local terms energy: -59.124575
where:
bonds (distance) C4'-P energy: -6.838
bonds (distance) P-C4' energy: -11.734
flat angles C4'-P-C4' energy: -12.599
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -16.014
Dist. restrs. and SS energy: 7.483 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -193.603554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.603554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.617548 (E_RNA)
where:
Base-Base interactions energy: -138.723
where: short stacking energy: -53.329
Base-Backbone interact. energy: -0.080
local terms energy: -54.814690
where:
bonds (distance) C4'-P energy: -8.120
bonds (distance) P-C4' energy: -11.645
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -11.643
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: 66
Temperature: 1.350000
Total energy: -168.928295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.928295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.194619 (E_RNA)
where:
Base-Base interactions energy: -125.111
where: short stacking energy: -47.126
Base-Backbone interact. energy: -0.107
local terms energy: -50.977067
where:
bonds (distance) C4'-P energy: -9.622
bonds (distance) P-C4' energy: -8.644
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -11.886
Dist. restrs. and SS energy: 7.266 (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: 7
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -220.627989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.627989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.627989 (E_RNA)
where:
Base-Base interactions energy: -154.567
where: short stacking energy: -65.870
Base-Backbone interact. energy: -0.011
local terms energy: -66.049414
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -10.821
flat angles C4'-P-C4' energy: -11.050
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -19.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -218.209606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.209606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.230949 (E_RNA)
where:
Base-Base interactions energy: -149.410
where: short stacking energy: -61.448
Base-Backbone interact. energy: -0.001
local terms energy: -68.820143
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -14.469
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -212.534401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.534401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.565340 (E_RNA)
where:
Base-Base interactions energy: -144.918
where: short stacking energy: -58.528
Base-Backbone interact. energy: 0.003
local terms energy: -67.650152
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -16.231
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -210.253740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.253740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.279552 (E_RNA)
where:
Base-Base interactions energy: -154.365
where: short stacking energy: -59.729
Base-Backbone interact. energy: -0.010
local terms energy: -55.904033
where:
bonds (distance) C4'-P energy: -8.319
bonds (distance) P-C4' energy: -10.478
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -16.033
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: 2
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -206.712860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.712860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.936000 (E_RNA)
where:
Base-Base interactions energy: -142.542
where: short stacking energy: -58.033
Base-Backbone interact. energy: -0.106
local terms energy: -64.287556
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -14.211
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: 6
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -209.113571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.113571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.170962 (E_RNA)
where:
Base-Base interactions energy: -144.523
where: short stacking energy: -55.615
Base-Backbone interact. energy: -0.065
local terms energy: -64.582836
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -10.803
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -9.712
tors. eta vs tors. theta energy: -16.139
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -204.732298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.732298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.783632 (E_RNA)
where:
Base-Base interactions energy: -143.642
where: short stacking energy: -55.104
Base-Backbone interact. energy: -0.000
local terms energy: -61.141593
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -10.654
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -14.624
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: 67
Temperature: 1.250000
Total energy: -199.224810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.224810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.522518 (E_RNA)
where:
Base-Base interactions energy: -138.978
where: short stacking energy: -54.628
Base-Backbone interact. energy: -0.317
local terms energy: -60.227935
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -10.161
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -12.728
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: 4
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -182.573934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.573934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.277048 (E_RNA)
where:
Base-Base interactions energy: -134.581
where: short stacking energy: -62.557
Base-Backbone interact. energy: -0.927
local terms energy: -54.769367
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -7.112
flat angles C4'-P-C4' energy: -12.171
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -15.469
Dist. restrs. and SS energy: 7.703 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -170.098852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.098852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.924306 (E_RNA)
where:
Base-Base interactions energy: -124.574
where: short stacking energy: -53.128
Base-Backbone interact. energy: -0.219
local terms energy: -54.130859
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -9.056
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -6.584
tors. eta vs tors. theta energy: -15.365
Dist. restrs. and SS energy: 8.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -222.197051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.197051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.310246 (E_RNA)
where:
Base-Base interactions energy: -157.151
where: short stacking energy: -65.849
Base-Backbone interact. energy: -0.280
local terms energy: -64.880043
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -15.221
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -216.449203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.449203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.548231 (E_RNA)
where:
Base-Base interactions energy: -148.086
where: short stacking energy: -65.035
Base-Backbone interact. energy: -0.012
local terms energy: -68.450675
where:
bonds (distance) C4'-P energy: -9.567
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -18.679
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -215.502115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.502115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.848702 (E_RNA)
where:
Base-Base interactions energy: -146.380
where: short stacking energy: -60.928
Base-Backbone interact. energy: -0.625
local terms energy: -68.843625
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -11.855
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -16.404
Dist. restrs. and SS energy: 0.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -205.298751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.298751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.311354 (E_RNA)
where:
Base-Base interactions energy: -142.830
where: short stacking energy: -57.708
Base-Backbone interact. energy: -0.140
local terms energy: -62.341863
where:
bonds (distance) C4'-P energy: -9.151
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -13.072
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -16.145
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -223.599601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.599601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.667105 (E_RNA)
where:
Base-Base interactions energy: -169.246
where: short stacking energy: -64.011
Base-Backbone interact. energy: -0.032
local terms energy: -54.388801
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -9.531
flat angles C4'-P-C4' energy: -9.991
flat angles P-C4'-P energy: -6.341
tors. eta vs tors. theta energy: -15.066
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -209.210831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.210831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.210831 (E_RNA)
where:
Base-Base interactions energy: -139.743
where: short stacking energy: -54.820
Base-Backbone interact. energy: -0.600
local terms energy: -68.867435
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -12.393
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -14.985
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -201.071934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.071934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.174522 (E_RNA)
where:
Base-Base interactions energy: -137.724
where: short stacking energy: -56.923
Base-Backbone interact. energy: -0.001
local terms energy: -63.449450
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -12.075
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -13.429
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: 9
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -197.495439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.495439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.519755 (E_RNA)
where:
Base-Base interactions energy: -141.190
where: short stacking energy: -59.686
Base-Backbone interact. energy: -0.001
local terms energy: -56.329033
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -4.947
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -15.459
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: 68
Temperature: 1.300000
Total energy: -177.157837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.157837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.316231 (E_RNA)
where:
Base-Base interactions energy: -115.655
where: short stacking energy: -44.896
Base-Backbone interact. energy: -0.153
local terms energy: -68.508602
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -14.765
Dist. restrs. and SS energy: 7.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -172.841697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.841697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.014649 (E_RNA)
where:
Base-Base interactions energy: -125.164
where: short stacking energy: -55.928
Base-Backbone interact. energy: 0.288
local terms energy: -55.139291
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -10.783
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -13.687
Dist. restrs. and SS energy: 7.173 (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: 8
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -222.101672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.101672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.200069 (E_RNA)
where:
Base-Base interactions energy: -154.434
where: short stacking energy: -66.558
Base-Backbone interact. energy: -0.001
local terms energy: -67.765096
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -16.484
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: 69
Temperature: 0.950000
Total energy: -220.134146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.134146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.170116 (E_RNA)
where:
Base-Base interactions energy: -150.545
where: short stacking energy: -63.061
Base-Backbone interact. energy: -0.100
local terms energy: -69.525594
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -15.901
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -12.105
tors. eta vs tors. theta energy: -16.297
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: 69
Temperature: 1.000000
Total energy: -213.408752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.408752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.524457 (E_RNA)
where:
Base-Base interactions energy: -156.544
where: short stacking energy: -60.409
Base-Backbone interact. energy: -0.114
local terms energy: -56.867064
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -12.135
flat angles P-C4'-P energy: -3.099
tors. eta vs tors. theta energy: -14.773
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -202.114486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.114486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.136409 (E_RNA)
where:
Base-Base interactions energy: -150.647
where: short stacking energy: -53.075
Base-Backbone interact. energy: -0.209
local terms energy: -51.280803
where:
bonds (distance) C4'-P energy: -8.431
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -11.224
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -12.435
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: 69
Temperature: 1.100000
Total energy: -196.446184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.446184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.446184 (E_RNA)
where:
Base-Base interactions energy: -137.687
where: short stacking energy: -53.593
Base-Backbone interact. energy: -0.663
local terms energy: -58.096277
where:
bonds (distance) C4'-P energy: -10.653
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -11.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -201.486100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.486100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.559585 (E_RNA)
where:
Base-Base interactions energy: -139.384
where: short stacking energy: -54.947
Base-Backbone interact. energy: -0.000
local terms energy: -62.175413
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -12.379
flat angles C4'-P-C4' energy: -10.953
flat angles P-C4'-P energy: -7.438
tors. eta vs tors. theta energy: -17.820
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: 2
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -210.463231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.463231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.553006 (E_RNA)
where:
Base-Base interactions energy: -144.065
where: short stacking energy: -63.697
Base-Backbone interact. energy: -0.122
local terms energy: -66.365134
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -13.587
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -18.218
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: 5
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -187.025201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.025201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.572974 (E_RNA)
where:
Base-Base interactions energy: -133.627
where: short stacking energy: -58.045
Base-Backbone interact. energy: -0.813
local terms energy: -60.133150
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -11.410
flat angles P-C4'-P energy: -7.249
tors. eta vs tors. theta energy: -16.470
Dist. restrs. and SS energy: 7.548 (S_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: 69
Temperature: 1.300000
Total energy: -198.728734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.728734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.810914 (E_RNA)
where:
Base-Base interactions energy: -144.982
where: short stacking energy: -61.381
Base-Backbone interact. energy: 2.174
local terms energy: -56.002793
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -11.362
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -7.832
tors. eta vs tors. theta energy: -11.110
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -168.915000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.915000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.836443 (E_RNA)
where:
Base-Base interactions energy: -120.751
where: short stacking energy: -51.492
Base-Backbone interact. energy: -0.566
local terms energy: -54.518915
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -11.561
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -6.967
tors. eta vs tors. theta energy: -11.768
Dist. restrs. and SS energy: 6.921 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -214.425425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.425425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.441660 (E_RNA)
where:
Base-Base interactions energy: -145.984
where: short stacking energy: -56.113
Base-Backbone interact. energy: -0.351
local terms energy: -68.106952
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -15.310
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -217.857697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.857697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.917784 (E_RNA)
where:
Base-Base interactions energy: -151.077
where: short stacking energy: -64.898
Base-Backbone interact. energy: -0.002
local terms energy: -66.838083
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -15.473
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -215.928224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.928224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.950091 (E_RNA)
where:
Base-Base interactions energy: -147.214
where: short stacking energy: -62.693
Base-Backbone interact. energy: -0.228
local terms energy: -68.508618
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -15.897
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -206.555555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.555555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.665088 (E_RNA)
where:
Base-Base interactions energy: -148.053
where: short stacking energy: -60.806
Base-Backbone interact. energy: -0.001
local terms energy: -58.610788
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -10.284
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -7.683
tors. eta vs tors. theta energy: -12.657
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: 3
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -209.153234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.153234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.192372 (E_RNA)
where:
Base-Base interactions energy: -153.722
where: short stacking energy: -59.948
Base-Backbone interact. energy: -0.027
local terms energy: -55.443408
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -9.705
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -12.447
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -205.855444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.855444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.929605 (E_RNA)
where:
Base-Base interactions energy: -140.156
where: short stacking energy: -57.383
Base-Backbone interact. energy: 0.505
local terms energy: -66.279056
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -13.194
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -184.086244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.086244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.495707 (E_RNA)
where:
Base-Base interactions energy: -130.980
where: short stacking energy: -51.064
Base-Backbone interact. energy: -1.038
local terms energy: -61.477139
where:
bonds (distance) C4'-P energy: -8.421
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -13.132
Dist. restrs. and SS energy: 9.409 (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: 70
Temperature: 1.250000
Total energy: -205.624267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.624267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.675907 (E_RNA)
where:
Base-Base interactions energy: -143.330
where: short stacking energy: -55.900
Base-Backbone interact. energy: -0.103
local terms energy: -62.242040
where:
bonds (distance) C4'-P energy: -12.104
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -10.833
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: 9
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -191.753288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.753288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.801637 (E_RNA)
where:
Base-Base interactions energy: -139.819
where: short stacking energy: -56.850
Base-Backbone interact. energy: 1.192
local terms energy: -53.174527
where:
bonds (distance) C4'-P energy: -9.175
bonds (distance) P-C4' energy: -10.070
flat angles C4'-P-C4' energy: -10.183
flat angles P-C4'-P energy: -8.557
tors. eta vs tors. theta energy: -15.190
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: 10, replica: 4
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -174.637807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.637807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.471322 (E_RNA)
where:
Base-Base interactions energy: -125.199
where: short stacking energy: -52.446
Base-Backbone interact. energy: -0.008
local terms energy: -56.264079
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -10.536
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -14.758
Dist. restrs. and SS energy: 6.834 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -223.049023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.049023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.049023 (E_RNA)
where:
Base-Base interactions energy: -161.152
where: short stacking energy: -64.705
Base-Backbone interact. energy: 0.216
local terms energy: -62.113658
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -12.168
flat angles P-C4'-P energy: -4.655
tors. eta vs tors. theta energy: -16.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -222.188942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.188942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.202828 (E_RNA)
where:
Base-Base interactions energy: -152.260
where: short stacking energy: -64.591
Base-Backbone interact. energy: -0.778
local terms energy: -69.165084
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -16.347
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -217.643190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.643190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.752866 (E_RNA)
where:
Base-Base interactions energy: -150.262
where: short stacking energy: -65.009
Base-Backbone interact. energy: -0.041
local terms energy: -67.449872
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: -15.799
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: 3
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -218.952254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.952254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.984961 (E_RNA)
where:
Base-Base interactions energy: -155.671
where: short stacking energy: -67.950
Base-Backbone interact. energy: -0.003
local terms energy: -63.310702
where:
bonds (distance) C4'-P energy: -9.722
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -16.978
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: 71
Temperature: 1.100000
Total energy: -202.707547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.707547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.793307 (E_RNA)
where:
Base-Base interactions energy: -138.397
where: short stacking energy: -55.297
Base-Backbone interact. energy: 0.274
local terms energy: -64.669850
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -12.661
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -15.132
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -206.062297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.062297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.196813 (E_RNA)
where:
Base-Base interactions energy: -141.109
where: short stacking energy: -57.019
Base-Backbone interact. energy: -0.591
local terms energy: -64.496878
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -15.281
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: 5
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -186.125068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.125068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.758207 (E_RNA)
where:
Base-Base interactions energy: -131.913
where: short stacking energy: -58.815
Base-Backbone interact. energy: -0.073
local terms energy: -62.772456
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -12.102
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -14.158
Dist. restrs. and SS energy: 8.633 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -201.759439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.759439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.773121 (E_RNA)
where:
Base-Base interactions energy: -144.150
where: short stacking energy: -55.583
Base-Backbone interact. energy: -0.001
local terms energy: -57.622051
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -10.403
flat angles C4'-P-C4' energy: -10.776
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -12.896
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: 71
Temperature: 1.300000
Total energy: -204.471655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.471655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.555816 (E_RNA)
where:
Base-Base interactions energy: -144.961
where: short stacking energy: -60.353
Base-Backbone interact. energy: -0.000
local terms energy: -59.594351
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -11.238
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -14.468
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -173.103525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.103525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.310081 (E_RNA)
where:
Base-Base interactions energy: -127.364
where: short stacking energy: -60.015
Base-Backbone interact. energy: -0.009
local terms energy: -52.936589
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -1.274
tors. eta vs tors. theta energy: -13.943
Dist. restrs. and SS energy: 7.207 (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: 10
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -226.479177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.479177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.479177 (E_RNA)
where:
Base-Base interactions energy: -154.890
where: short stacking energy: -64.956
Base-Backbone interact. energy: -0.001
local terms energy: -71.588786
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -19.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -227.830813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.830813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.833863 (E_RNA)
where:
Base-Base interactions energy: -162.962
where: short stacking energy: -65.290
Base-Backbone interact. energy: -0.015
local terms energy: -64.857576
where:
bonds (distance) C4'-P energy: -11.887
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -17.295
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: 3
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -213.303200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.303200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.303200 (E_RNA)
where:
Base-Base interactions energy: -150.620
where: short stacking energy: -63.570
Base-Backbone interact. energy: -0.014
local terms energy: -62.669021
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -10.536
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -15.224
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -208.676566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.676566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.757710 (E_RNA)
where:
Base-Base interactions energy: -146.175
where: short stacking energy: -61.240
Base-Backbone interact. energy: -0.294
local terms energy: -62.288324
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -15.879
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: 6
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -207.879584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.879584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.020924 (E_RNA)
where:
Base-Base interactions energy: -139.099
where: short stacking energy: -57.827
Base-Backbone interact. energy: -0.100
local terms energy: -68.822070
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -12.334
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -17.442
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -204.602173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.602173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.089585 (E_RNA)
where:
Base-Base interactions energy: -149.902
where: short stacking energy: -56.570
Base-Backbone interact. energy: -0.064
local terms energy: -55.124099
where:
bonds (distance) C4'-P energy: -10.719
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -10.252
flat angles P-C4'-P energy: -4.954
tors. eta vs tors. theta energy: -15.505
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: 7, replica: 9
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -205.552179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.552179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.709725 (E_RNA)
where:
Base-Base interactions energy: -141.803
where: short stacking energy: -60.173
Base-Backbone interact. energy: -0.051
local terms energy: -63.855719
where:
bonds (distance) C4'-P energy: -10.100
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -16.265
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: 72
Temperature: 1.250000
Total energy: -186.326333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.326333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.540861 (E_RNA)
where:
Base-Base interactions energy: -139.220
where: short stacking energy: -59.703
Base-Backbone interact. energy: -0.019
local terms energy: -55.301723
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -8.980
flat angles C4'-P-C4' energy: -8.922
flat angles P-C4'-P energy: -5.442
tors. eta vs tors. theta energy: -17.234
Dist. restrs. and SS energy: 8.215 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -193.935002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.935002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.940352 (E_RNA)
where:
Base-Base interactions energy: -142.208
where: short stacking energy: -56.463
Base-Backbone interact. energy: -0.011
local terms energy: -51.721160
where:
bonds (distance) C4'-P energy: -10.019
bonds (distance) P-C4' energy: -7.456
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -6.673
tors. eta vs tors. theta energy: -13.781
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -172.713905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.713905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.670091 (E_RNA)
where:
Base-Base interactions energy: -121.598
where: short stacking energy: -51.078
Base-Backbone interact. energy: -0.038
local terms energy: -59.034669
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -9.059
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -12.456
Dist. restrs. and SS energy: 7.956 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -222.847136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.847136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.941216 (E_RNA)
where:
Base-Base interactions energy: -163.855
where: short stacking energy: -69.068
Base-Backbone interact. energy: -0.220
local terms energy: -58.866133
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -9.993
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -13.093
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: 3
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -218.598072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.598072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.739296 (E_RNA)
where:
Base-Base interactions energy: -149.813
where: short stacking energy: -59.748
Base-Backbone interact. energy: 1.149
local terms energy: -70.074835
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -8.454
tors. eta vs tors. theta energy: -18.472
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -225.336370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.336370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.336370 (E_RNA)
where:
Base-Base interactions energy: -165.369
where: short stacking energy: -67.708
Base-Backbone interact. energy: -0.048
local terms energy: -59.918974
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -2.854
tors. eta vs tors. theta energy: -18.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -210.200592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.200592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.207666 (E_RNA)
where:
Base-Base interactions energy: -147.710
where: short stacking energy: -63.497
Base-Backbone interact. energy: -0.013
local terms energy: -62.485148
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -15.144
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: 73
Temperature: 1.100000
Total energy: -209.756378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.756378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.784955 (E_RNA)
where:
Base-Base interactions energy: -144.394
where: short stacking energy: -57.264
Base-Backbone interact. energy: -0.001
local terms energy: -65.389704
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -9.217
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -15.896
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: 1
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -202.421883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.421883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.432333 (E_RNA)
where:
Base-Base interactions energy: -147.565
where: short stacking energy: -53.973
Base-Backbone interact. energy: 0.336
local terms energy: -55.203813
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -10.143
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -7.161
tors. eta vs tors. theta energy: -12.242
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: 9
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -203.868749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.868749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.068049 (E_RNA)
where:
Base-Base interactions energy: -141.664
where: short stacking energy: -58.738
Base-Backbone interact. energy: -0.225
local terms energy: -62.179391
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -13.650
Dist. restrs. and SS energy: 0.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -203.289792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.289792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.420882 (E_RNA)
where:
Base-Base interactions energy: -147.057
where: short stacking energy: -55.401
Base-Backbone interact. energy: -0.315
local terms energy: -56.049048
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -11.008
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -4.315
tors. eta vs tors. theta energy: -15.851
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -189.188046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.188046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.813013 (E_RNA)
where:
Base-Base interactions energy: -135.929
where: short stacking energy: -55.621
Base-Backbone interact. energy: -0.218
local terms energy: -59.665507
where:
bonds (distance) C4'-P energy: -9.776
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -10.325
tors. eta vs tors. theta energy: -15.288
Dist. restrs. and SS energy: 6.625 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -171.540107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.540107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.374845 (E_RNA)
where:
Base-Base interactions energy: -126.728
where: short stacking energy: -56.885
Base-Backbone interact. energy: -0.009
local terms energy: -52.637628
where:
bonds (distance) C4'-P energy: -8.874
bonds (distance) P-C4' energy: -7.067
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -6.977
tors. eta vs tors. theta energy: -15.549
Dist. restrs. and SS energy: 7.835 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -228.407436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.407436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.472980 (E_RNA)
where:
Base-Base interactions energy: -157.368
where: short stacking energy: -64.719
Base-Backbone interact. energy: -0.001
local terms energy: -71.103924
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -19.375
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -220.687398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.687398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.694278 (E_RNA)
where:
Base-Base interactions energy: -151.366
where: short stacking energy: -64.115
Base-Backbone interact. energy: -0.001
local terms energy: -69.327148
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -15.768
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -220.060351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.060351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.085678 (E_RNA)
where:
Base-Base interactions energy: -160.844
where: short stacking energy: -61.903
Base-Backbone interact. energy: -0.091
local terms energy: -59.150450
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -3.495
tors. eta vs tors. theta energy: -16.060
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: 7
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -224.877919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.877919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.933794 (E_RNA)
where:
Base-Base interactions energy: -166.672
where: short stacking energy: -64.162
Base-Backbone interact. energy: -0.093
local terms energy: -58.168318
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -11.782
flat angles P-C4'-P energy: -6.158
tors. eta vs tors. theta energy: -13.530
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: 74
Temperature: 1.100000
Total energy: -202.045732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.045732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.051400 (E_RNA)
where:
Base-Base interactions energy: -138.159
where: short stacking energy: -51.857
Base-Backbone interact. energy: -0.557
local terms energy: -63.335632
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -14.216
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: 8
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -203.198681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.198681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.432354 (E_RNA)
where:
Base-Base interactions energy: -145.295
where: short stacking energy: -60.358
Base-Backbone interact. energy: -0.000
local terms energy: -58.136972
where:
bonds (distance) C4'-P energy: -7.896
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -13.800
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: 2
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -203.672800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.672800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.696980 (E_RNA)
where:
Base-Base interactions energy: -139.491
where: short stacking energy: -53.132
Base-Backbone interact. energy: -0.054
local terms energy: -64.151602
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -11.200
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -16.192
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -208.295202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.295202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.354047 (E_RNA)
where:
Base-Base interactions energy: -150.350
where: short stacking energy: -60.325
Base-Backbone interact. energy: -0.050
local terms energy: -57.953717
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -3.374
tors. eta vs tors. theta energy: -13.842
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: 74
Temperature: 1.300000
Total energy: -187.304615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.304615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.832623 (E_RNA)
where:
Base-Base interactions energy: -134.086
where: short stacking energy: -55.529
Base-Backbone interact. energy: -0.006
local terms energy: -60.740459
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -10.109
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -14.406
Dist. restrs. and SS energy: 7.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -173.697827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.697827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.514098 (E_RNA)
where:
Base-Base interactions energy: -123.972
where: short stacking energy: -48.458
Base-Backbone interact. energy: -0.090
local terms energy: -58.452261
where:
bonds (distance) C4'-P energy: -11.614
bonds (distance) P-C4' energy: -9.692
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -15.774
Dist. restrs. and SS energy: 8.816 (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: 75
Temperature: 0.900000
Total energy: -221.935561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.935561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.010550 (E_RNA)
where:
Base-Base interactions energy: -149.883
where: short stacking energy: -61.788
Base-Backbone interact. energy: 0.439
local terms energy: -72.566931
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -13.266
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -18.518
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -221.947295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.947295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.974295 (E_RNA)
where:
Base-Base interactions energy: -153.443
where: short stacking energy: -65.911
Base-Backbone interact. energy: -0.001
local terms energy: -68.530919
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -15.992
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -220.441058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.441058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.463922 (E_RNA)
where:
Base-Base interactions energy: -154.277
where: short stacking energy: -64.499
Base-Backbone interact. energy: -0.002
local terms energy: -66.185511
where:
bonds (distance) C4'-P energy: -10.973
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -17.079
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: 1
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -204.460029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.460029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.514146 (E_RNA)
where:
Base-Base interactions energy: -149.046
where: short stacking energy: -64.459
Base-Backbone interact. energy: -0.007
local terms energy: -55.461647
where:
bonds (distance) C4'-P energy: -10.712
bonds (distance) P-C4' energy: -9.885
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: -13.417
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: 75
Temperature: 1.100000
Total energy: -201.583281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.583281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.734038 (E_RNA)
where:
Base-Base interactions energy: -138.762
where: short stacking energy: -61.064
Base-Backbone interact. energy: 0.606
local terms energy: -63.577599
where:
bonds (distance) C4'-P energy: -8.182
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -15.626
Dist. restrs. and SS energy: 0.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -211.977103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.977103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.992598 (E_RNA)
where:
Base-Base interactions energy: -151.498
where: short stacking energy: -58.540
Base-Backbone interact. energy: -0.001
local terms energy: -60.493574
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -6.558
tors. eta vs tors. theta energy: -14.169
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -206.027133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.027133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.244932 (E_RNA)
where:
Base-Base interactions energy: -144.107
where: short stacking energy: -60.299
Base-Backbone interact. energy: -0.005
local terms energy: -62.133753
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -10.654
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -16.372
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: 8, replica: 9
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -205.059365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.059365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.229574 (E_RNA)
where:
Base-Base interactions energy: -142.982
where: short stacking energy: -59.051
Base-Backbone interact. energy: 0.351
local terms energy: -62.598764
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -10.756
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -13.560
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -182.625697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.625697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.927113 (E_RNA)
where:
Base-Base interactions energy: -128.694
where: short stacking energy: -53.133
Base-Backbone interact. energy: -0.369
local terms energy: -61.863899
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -4.203
tors. eta vs tors. theta energy: -16.359
Dist. restrs. and SS energy: 8.301 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -176.242114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.242114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.348414 (E_RNA)
where:
Base-Base interactions energy: -131.673
where: short stacking energy: -56.081
Base-Backbone interact. energy: -0.354
local terms energy: -52.321684
where:
bonds (distance) C4'-P energy: -10.717
bonds (distance) P-C4' energy: -8.618
flat angles C4'-P-C4' energy: -12.859
flat angles P-C4'-P energy: -5.021
tors. eta vs tors. theta energy: -15.107
Dist. restrs. and SS energy: 8.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -216.817322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.817322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.817322 (E_RNA)
where:
Base-Base interactions energy: -152.676
where: short stacking energy: -61.536
Base-Backbone interact. energy: 1.498
local terms energy: -65.638612
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -15.794
flat angles P-C4'-P energy: -4.819
tors. eta vs tors. theta energy: -15.515
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -213.590927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.590927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.590927 (E_RNA)
where:
Base-Base interactions energy: -150.702
where: short stacking energy: -60.722
Base-Backbone interact. energy: 0.092
local terms energy: -62.980802
where:
bonds (distance) C4'-P energy: -8.903
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -14.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -227.737286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.737286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.772446 (E_RNA)
where:
Base-Base interactions energy: -164.835
where: short stacking energy: -66.629
Base-Backbone interact. energy: -0.012
local terms energy: -62.925053
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -6.276
tors. eta vs tors. theta energy: -16.898
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -208.630105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.630105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.683669 (E_RNA)
where:
Base-Base interactions energy: -149.539
where: short stacking energy: -57.953
Base-Backbone interact. energy: -0.007
local terms energy: -59.137717
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -5.811
tors. eta vs tors. theta energy: -12.346
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: 8
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -213.372296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.372296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.404152 (E_RNA)
where:
Base-Base interactions energy: -150.452
where: short stacking energy: -65.341
Base-Backbone interact. energy: -0.006
local terms energy: -62.945650
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -12.631
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -16.291
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: 76
Temperature: 1.150000
Total energy: -204.905370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.905370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.025636 (E_RNA)
where:
Base-Base interactions energy: -146.696
where: short stacking energy: -64.659
Base-Backbone interact. energy: -0.048
local terms energy: -58.281120
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -10.992
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -13.171
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -198.276380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.276380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.435359 (E_RNA)
where:
Base-Base interactions energy: -135.549
where: short stacking energy: -58.600
Base-Backbone interact. energy: -0.001
local terms energy: -62.885772
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -11.627
flat angles C4'-P-C4' energy: -9.642
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -16.257
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: 8, replica: 9
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -198.329803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.329803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.566687 (E_RNA)
where:
Base-Base interactions energy: -147.656
where: short stacking energy: -59.994
Base-Backbone interact. energy: -0.201
local terms energy: -50.710048
where:
bonds (distance) C4'-P energy: -9.814
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -6.586
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -13.925
Dist. restrs. and SS energy: 0.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -179.984183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.984183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.488899 (E_RNA)
where:
Base-Base interactions energy: -129.739
where: short stacking energy: -55.015
Base-Backbone interact. energy: -0.742
local terms energy: -57.007795
where:
bonds (distance) C4'-P energy: -8.624
bonds (distance) P-C4' energy: -10.197
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -16.481
Dist. restrs. and SS energy: 7.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -170.556264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.556264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.842398 (E_RNA)
where:
Base-Base interactions energy: -126.742
where: short stacking energy: -53.829
Base-Backbone interact. energy: 0.143
local terms energy: -53.243587
where:
bonds (distance) C4'-P energy: -10.249
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -10.051
flat angles P-C4'-P energy: -6.816
tors. eta vs tors. theta energy: -13.466
Dist. restrs. and SS energy: 9.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -225.180159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.180159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.206765 (E_RNA)
where:
Base-Base interactions energy: -168.186
where: short stacking energy: -65.740
Base-Backbone interact. energy: -0.025
local terms energy: -56.995954
where:
bonds (distance) C4'-P energy: -9.651
bonds (distance) P-C4' energy: -11.329
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -16.322
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -227.987673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.987673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.188220 (E_RNA)
where:
Base-Base interactions energy: -167.951
where: short stacking energy: -69.446
Base-Backbone interact. energy: -0.007
local terms energy: -60.229817
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -11.204
flat angles P-C4'-P energy: -3.748
tors. eta vs tors. theta energy: -16.838
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: 3, replica: 10
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -216.111974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.111974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.141730 (E_RNA)
where:
Base-Base interactions energy: -150.867
where: short stacking energy: -65.424
Base-Backbone interact. energy: -0.083
local terms energy: -65.191774
where:
bonds (distance) C4'-P energy: -9.069
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -16.724
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: 8
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -214.710567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.710567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.785668 (E_RNA)
where:
Base-Base interactions energy: -149.102
where: short stacking energy: -63.457
Base-Backbone interact. energy: -0.001
local terms energy: -65.682978
where:
bonds (distance) C4'-P energy: -9.720
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -18.872
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -204.120055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.120055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.342368 (E_RNA)
where:
Base-Base interactions energy: -143.094
where: short stacking energy: -59.428
Base-Backbone interact. energy: -0.226
local terms energy: -61.022217
where:
bonds (distance) C4'-P energy: -10.687
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -5.833
tors. eta vs tors. theta energy: -15.594
Dist. restrs. and SS energy: 0.222 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -202.089880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.089880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.125977 (E_RNA)
where:
Base-Base interactions energy: -152.298
where: short stacking energy: -62.075
Base-Backbone interact. energy: -0.029
local terms energy: -49.799092
where:
bonds (distance) C4'-P energy: -9.453
bonds (distance) P-C4' energy: -13.967
flat angles C4'-P-C4' energy: -9.616
flat angles P-C4'-P energy: -2.807
tors. eta vs tors. theta energy: -13.956
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -201.946358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.946358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.127939 (E_RNA)
where:
Base-Base interactions energy: -136.936
where: short stacking energy: -61.271
Base-Backbone interact. energy: -0.003
local terms energy: -65.188473
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -14.704
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -180.863535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.863535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.783191 (E_RNA)
where:
Base-Base interactions energy: -123.743
where: short stacking energy: -46.646
Base-Backbone interact. energy: -0.042
local terms energy: -63.998642
where:
bonds (distance) C4'-P energy: -10.487
bonds (distance) P-C4' energy: -16.461
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -13.578
Dist. restrs. and SS energy: 6.920 (S_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: 77
Temperature: 1.300000
Total energy: -196.135193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.135193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.404099 (E_RNA)
where:
Base-Base interactions energy: -137.275
where: short stacking energy: -59.785
Base-Backbone interact. energy: -0.015
local terms energy: -59.114119
where:
bonds (distance) C4'-P energy: -8.050
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -15.423
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: 10, replica: 4
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -175.425815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.425815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.661011 (E_RNA)
where:
Base-Base interactions energy: -127.555
where: short stacking energy: -60.021
Base-Backbone interact. energy: -0.393
local terms energy: -54.712972
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -5.928
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: -14.375
Dist. restrs. and SS energy: 7.235 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -236.780499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.780499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.815790 (E_RNA)
where:
Base-Base interactions energy: -171.258
where: short stacking energy: -67.899
Base-Backbone interact. energy: -0.020
local terms energy: -65.537118
where:
bonds (distance) C4'-P energy: -12.539
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -14.040
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -226.103982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.103982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.138221 (E_RNA)
where:
Base-Base interactions energy: -162.483
where: short stacking energy: -66.365
Base-Backbone interact. energy: -0.002
local terms energy: -63.652625
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -12.934
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: -16.612
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -221.902519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.902519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.918846 (E_RNA)
where:
Base-Base interactions energy: -148.941
where: short stacking energy: -59.491
Base-Backbone interact. energy: 1.074
local terms energy: -74.051639
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -18.517
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: 78
Temperature: 1.050000
Total energy: -210.643547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.643547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.651030 (E_RNA)
where:
Base-Base interactions energy: -143.043
where: short stacking energy: -59.892
Base-Backbone interact. energy: -0.523
local terms energy: -67.085308
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -14.550
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: 7
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -210.328864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.328864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.459782 (E_RNA)
where:
Base-Base interactions energy: -151.504
where: short stacking energy: -58.325
Base-Backbone interact. energy: -0.170
local terms energy: -58.785592
where:
bonds (distance) C4'-P energy: -9.702
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -11.086
flat angles P-C4'-P energy: -5.087
tors. eta vs tors. theta energy: -16.193
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -208.348531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.348531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.348531 (E_RNA)
where:
Base-Base interactions energy: -143.498
where: short stacking energy: -56.379
Base-Backbone interact. energy: -0.127
local terms energy: -64.722698
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -12.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -205.153302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.153302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.229000 (E_RNA)
where:
Base-Base interactions energy: -146.734
where: short stacking energy: -57.940
Base-Backbone interact. energy: -0.103
local terms energy: -58.392129
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -11.714
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -4.769
tors. eta vs tors. theta energy: -13.861
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -191.586001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.586001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.111023 (E_RNA)
where:
Base-Base interactions energy: -139.922
where: short stacking energy: -56.251
Base-Backbone interact. energy: -0.569
local terms energy: -59.619375
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -11.852
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: -15.595
Dist. restrs. and SS energy: 8.525 (S_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: 78
Temperature: 1.300000
Total energy: -197.955422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.955422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.955497 (E_RNA)
where:
Base-Base interactions energy: -140.893
where: short stacking energy: -52.916
Base-Backbone interact. energy: -0.576
local terms energy: -56.486397
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -3.494
tors. eta vs tors. theta energy: -14.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -175.367094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.367094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.550845 (E_RNA)
where:
Base-Base interactions energy: -125.760
where: short stacking energy: -49.887
Base-Backbone interact. energy: -0.835
local terms energy: -56.955740
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -10.110
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: -13.111
Dist. restrs. and SS energy: 8.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -232.504785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.504785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.528705 (E_RNA)
where:
Base-Base interactions energy: -169.821
where: short stacking energy: -71.662
Base-Backbone interact. energy: -0.022
local terms energy: -62.685311
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -15.320
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -219.361870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.361870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.399064 (E_RNA)
where:
Base-Base interactions energy: -154.492
where: short stacking energy: -64.724
Base-Backbone interact. energy: -0.047
local terms energy: -64.860580
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -16.477
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: 79
Temperature: 1.000000
Total energy: -216.308202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.308202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.358775 (E_RNA)
where:
Base-Base interactions energy: -155.324
where: short stacking energy: -62.326
Base-Backbone interact. energy: -0.282
local terms energy: -60.752111
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -11.011
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -12.663
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -212.931120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.931120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.931120 (E_RNA)
where:
Base-Base interactions energy: -157.977
where: short stacking energy: -65.925
Base-Backbone interact. energy: -0.018
local terms energy: -54.936002
where:
bonds (distance) C4'-P energy: -5.229
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -15.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -206.596729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.596729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.647934 (E_RNA)
where:
Base-Base interactions energy: -148.084
where: short stacking energy: -64.854
Base-Backbone interact. energy: -0.002
local terms energy: -58.562032
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -9.167
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -16.482
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -210.270458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.270458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.302596 (E_RNA)
where:
Base-Base interactions energy: -145.700
where: short stacking energy: -61.771
Base-Backbone interact. energy: -0.001
local terms energy: -64.602092
where:
bonds (distance) C4'-P energy: -10.119
bonds (distance) P-C4' energy: -11.977
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -17.688
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -202.383279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.383279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.411224 (E_RNA)
where:
Base-Base interactions energy: -145.267
where: short stacking energy: -57.381
Base-Backbone interact. energy: -0.077
local terms energy: -57.067030
where:
bonds (distance) C4'-P energy: -8.883
bonds (distance) P-C4' energy: -10.920
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -13.177
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -194.094104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.094104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.181207 (E_RNA)
where:
Base-Base interactions energy: -141.550
where: short stacking energy: -51.660
Base-Backbone interact. energy: -0.235
local terms energy: -52.396875
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -6.667
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -9.610
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: 79
Temperature: 1.300000
Total energy: -175.181134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.181134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.137664 (E_RNA)
where:
Base-Base interactions energy: -129.157
where: short stacking energy: -49.802
Base-Backbone interact. energy: -0.114
local terms energy: -52.866303
where:
bonds (distance) C4'-P energy: -8.778
bonds (distance) P-C4' energy: -9.573
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -9.406
Dist. restrs. and SS energy: 6.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -174.963414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.963414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.580515 (E_RNA)
where:
Base-Base interactions energy: -127.895
where: short stacking energy: -53.872
Base-Backbone interact. energy: -0.789
local terms energy: -54.896446
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -7.959
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -13.586
Dist. restrs. and SS energy: 8.617 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -220.165028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.165028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.187422 (E_RNA)
where:
Base-Base interactions energy: -157.030
where: short stacking energy: -63.533
Base-Backbone interact. energy: -0.000
local terms energy: -63.157483
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -11.399
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -13.040
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -212.784684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.784684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.832465 (E_RNA)
where:
Base-Base interactions energy: -149.293
where: short stacking energy: -61.790
Base-Backbone interact. energy: -0.054
local terms energy: -63.485434
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -8.486
tors. eta vs tors. theta energy: -16.509
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: 7
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -204.974232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.974232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.134388 (E_RNA)
where:
Base-Base interactions energy: -147.801
where: short stacking energy: -63.544
Base-Backbone interact. energy: -0.238
local terms energy: -57.095500
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -5.091
tors. eta vs tors. theta energy: -15.041
Dist. restrs. and SS energy: 0.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -211.039715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.039715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.303036 (E_RNA)
where:
Base-Base interactions energy: -148.601
where: short stacking energy: -66.898
Base-Backbone interact. energy: 0.341
local terms energy: -63.042281
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -12.149
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -16.174
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: 5, replica: 2
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -225.111529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.111529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.128297 (E_RNA)
where:
Base-Base interactions energy: -160.192
where: short stacking energy: -64.010
Base-Backbone interact. energy: -0.035
local terms energy: -64.900906
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -9.558
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -18.619
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: 80
Temperature: 1.150000
Total energy: -200.021158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.021158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.079862 (E_RNA)
where:
Base-Base interactions energy: -139.177
where: short stacking energy: -55.757
Base-Backbone interact. energy: -0.000
local terms energy: -60.902587
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -4.289
tors. eta vs tors. theta energy: -14.077
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -204.032303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.032303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.040839 (E_RNA)
where:
Base-Base interactions energy: -145.046
where: short stacking energy: -58.077
Base-Backbone interact. energy: -0.339
local terms energy: -58.656185
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -10.397
flat angles C4'-P-C4' energy: -11.108
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -13.523
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: 80
Temperature: 1.250000
Total energy: -202.016692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.016692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.178847 (E_RNA)
where:
Base-Base interactions energy: -136.595
where: short stacking energy: -55.454
Base-Backbone interact. energy: -0.689
local terms energy: -64.894316
where:
bonds (distance) C4'-P energy: -10.508
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -16.041
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: 4
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -187.164574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.164574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.410061 (E_RNA)
where:
Base-Base interactions energy: -136.526
where: short stacking energy: -61.940
Base-Backbone interact. energy: -0.569
local terms energy: -58.314901
where:
bonds (distance) C4'-P energy: -10.807
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -12.870
flat angles P-C4'-P energy: -5.804
tors. eta vs tors. theta energy: -16.116
Dist. restrs. and SS energy: 8.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -176.675453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.675453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.924380 (E_RNA)
where:
Base-Base interactions energy: -121.288
where: short stacking energy: -48.297
Base-Backbone interact. energy: -0.007
local terms energy: -61.629132
where:
bonds (distance) C4'-P energy: -9.458
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -13.545
Dist. restrs. and SS energy: 6.249 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -218.538089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.538089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.651451 (E_RNA)
where:
Base-Base interactions energy: -153.361
where: short stacking energy: -67.298
Base-Backbone interact. energy: -0.000
local terms energy: -65.290283
where:
bonds (distance) C4'-P energy: -11.766
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -15.298
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -18.029
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -210.628779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.628779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.688368 (E_RNA)
where:
Base-Base interactions energy: -144.496
where: short stacking energy: -55.860
Base-Backbone interact. energy: -0.162
local terms energy: -66.030084
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -13.469
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: 81
Temperature: 1.000000
Total energy: -210.568648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.568648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.604717 (E_RNA)
where:
Base-Base interactions energy: -146.623
where: short stacking energy: -58.303
Base-Backbone interact. energy: -0.034
local terms energy: -63.947943
where:
bonds (distance) C4'-P energy: -11.009
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -15.617
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -212.670814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.670814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.718433 (E_RNA)
where:
Base-Base interactions energy: -151.127
where: short stacking energy: -61.425
Base-Backbone interact. energy: -0.042
local terms energy: -61.549440
where:
bonds (distance) C4'-P energy: -8.990
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -13.817
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -211.983558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.983558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.114983 (E_RNA)
where:
Base-Base interactions energy: -144.215
where: short stacking energy: -60.235
Base-Backbone interact. energy: -0.003
local terms energy: -67.897560
where:
bonds (distance) C4'-P energy: -11.882
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -15.132
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -206.452342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.452342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.459491 (E_RNA)
where:
Base-Base interactions energy: -140.968
where: short stacking energy: -58.908
Base-Backbone interact. energy: -0.001
local terms energy: -65.490785
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -18.430
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: 8
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -208.124895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.124895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.211545 (E_RNA)
where:
Base-Base interactions energy: -148.237
where: short stacking energy: -56.864
Base-Backbone interact. energy: -0.002
local terms energy: -59.972691
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -9.890
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -5.980
tors. eta vs tors. theta energy: -16.467
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -179.914455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.914455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.431944 (E_RNA)
where:
Base-Base interactions energy: -127.824
where: short stacking energy: -53.001
Base-Backbone interact. energy: -1.028
local terms energy: -58.579651
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -10.672
flat angles C4'-P-C4' energy: -11.020
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -16.763
Dist. restrs. and SS energy: 7.517 (S_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: 81
Temperature: 1.300000
Total energy: -187.927778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.927778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.396753 (E_RNA)
where:
Base-Base interactions energy: -130.397
where: short stacking energy: -55.741
Base-Backbone interact. energy: -0.054
local terms energy: -57.945760
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -12.265
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: -13.047
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: 10, replica: 5
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -178.096544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.096544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.571139 (E_RNA)
where:
Base-Base interactions energy: -124.879
where: short stacking energy: -45.188
Base-Backbone interact. energy: -0.326
local terms energy: -59.366353
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -13.044
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -14.604
Dist. restrs. and SS energy: 6.475 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -212.936293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.936293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.953634 (E_RNA)
where:
Base-Base interactions energy: -148.905
where: short stacking energy: -54.069
Base-Backbone interact. energy: -0.377
local terms energy: -63.671794
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -11.292
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -235.414374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.414374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.414374 (E_RNA)
where:
Base-Base interactions energy: -178.382
where: short stacking energy: -70.405
Base-Backbone interact. energy: -0.002
local terms energy: -57.031289
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -1.724
tors. eta vs tors. theta energy: -17.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -222.352453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.352453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.352453 (E_RNA)
where:
Base-Base interactions energy: -164.129
where: short stacking energy: -63.889
Base-Backbone interact. energy: -0.070
local terms energy: -58.153165
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -11.622
flat angles P-C4'-P energy: -4.792
tors. eta vs tors. theta energy: -16.670
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -213.180762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.180762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.214371 (E_RNA)
where:
Base-Base interactions energy: -146.066
where: short stacking energy: -62.739
Base-Backbone interact. energy: -0.088
local terms energy: -67.060408
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -16.630
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -206.959143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.959143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.970942 (E_RNA)
where:
Base-Base interactions energy: -149.558
where: short stacking energy: -62.252
Base-Backbone interact. energy: -0.002
local terms energy: -57.410086
where:
bonds (distance) C4'-P energy: -9.227
bonds (distance) P-C4' energy: -11.235
flat angles C4'-P-C4' energy: -11.104
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -15.263
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: 82
Temperature: 1.150000
Total energy: -205.803154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.803154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.806925 (E_RNA)
where:
Base-Base interactions energy: -142.738
where: short stacking energy: -51.769
Base-Backbone interact. energy: -0.080
local terms energy: -62.988918
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -10.421
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -12.308
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: 82
Temperature: 1.200000
Total energy: -211.143017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.143017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.222748 (E_RNA)
where:
Base-Base interactions energy: -155.007
where: short stacking energy: -61.280
Base-Backbone interact. energy: -0.072
local terms energy: -56.143606
where:
bonds (distance) C4'-P energy: -10.777
bonds (distance) P-C4' energy: -9.965
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -6.807
tors. eta vs tors. theta energy: -16.475
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -178.915021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.915021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.057021 (E_RNA)
where:
Base-Base interactions energy: -135.085
where: short stacking energy: -56.998
Base-Backbone interact. energy: -1.803
local terms energy: -49.169054
where:
bonds (distance) C4'-P energy: -1.140
bonds (distance) P-C4' energy: -11.116
flat angles C4'-P-C4' energy: -11.352
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -14.472
Dist. restrs. and SS energy: 7.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -182.163729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.163729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.349297 (E_RNA)
where:
Base-Base interactions energy: -141.103
where: short stacking energy: -59.851
Base-Backbone interact. energy: -0.005
local terms energy: -49.241606
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -5.552
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -4.617
tors. eta vs tors. theta energy: -15.410
Dist. restrs. and SS energy: 8.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -194.478300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.478300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.507628 (E_RNA)
where:
Base-Base interactions energy: -138.447
where: short stacking energy: -55.446
Base-Backbone interact. energy: -0.245
local terms energy: -55.815489
where:
bonds (distance) C4'-P energy: -7.976
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -3.639
tors. eta vs tors. theta energy: -15.810
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -218.209467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.209467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.246473 (E_RNA)
where:
Base-Base interactions energy: -156.661
where: short stacking energy: -60.871
Base-Backbone interact. energy: -0.272
local terms energy: -61.313566
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -4.955
tors. eta vs tors. theta energy: -15.429
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -228.468233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.468233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.760021 (E_RNA)
where:
Base-Base interactions energy: -165.034
where: short stacking energy: -65.322
Base-Backbone interact. energy: -0.012
local terms energy: -63.713880
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -14.574
flat angles P-C4'-P energy: -7.137
tors. eta vs tors. theta energy: -15.082
Dist. restrs. and SS energy: 0.292 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -228.173970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.173970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.237028 (E_RNA)
where:
Base-Base interactions energy: -168.178
where: short stacking energy: -67.725
Base-Backbone interact. energy: -0.169
local terms energy: -59.889458
where:
bonds (distance) C4'-P energy: -10.260
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -6.609
tors. eta vs tors. theta energy: -16.306
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: 1
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -211.404745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.404745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.512168 (E_RNA)
where:
Base-Base interactions energy: -152.777
where: short stacking energy: -59.417
Base-Backbone interact. energy: -0.099
local terms energy: -58.635888
where:
bonds (distance) C4'-P energy: -10.815
bonds (distance) P-C4' energy: -12.241
flat angles C4'-P-C4' energy: -13.534
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -13.502
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -205.879068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.879068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.972917 (E_RNA)
where:
Base-Base interactions energy: -140.140
where: short stacking energy: -57.423
Base-Backbone interact. energy: -0.001
local terms energy: -65.831136
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -7.955
tors. eta vs tors. theta energy: -15.873
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: 8
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -216.915730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.915730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.989830 (E_RNA)
where:
Base-Base interactions energy: -161.608
where: short stacking energy: -65.038
Base-Backbone interact. energy: 0.420
local terms energy: -55.801354
where:
bonds (distance) C4'-P energy: -10.551
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -11.058
flat angles P-C4'-P energy: -6.318
tors. eta vs tors. theta energy: -15.438
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -203.368861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.368861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.409806 (E_RNA)
where:
Base-Base interactions energy: -140.889
where: short stacking energy: -61.132
Base-Backbone interact. energy: -0.000
local terms energy: -62.520365
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -16.715
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -180.946584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.946584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.243648 (E_RNA)
where:
Base-Base interactions energy: -134.968
where: short stacking energy: -54.593
Base-Backbone interact. energy: -0.305
local terms energy: -52.970874
where:
bonds (distance) C4'-P energy: -7.677
bonds (distance) P-C4' energy: -11.170
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -4.551
tors. eta vs tors. theta energy: -17.577
Dist. restrs. and SS energy: 7.297 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -180.531339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.531339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.140614 (E_RNA)
where:
Base-Base interactions energy: -128.771
where: short stacking energy: -53.194
Base-Backbone interact. energy: -0.065
local terms energy: -59.305019
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -12.077
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -5.584
tors. eta vs tors. theta energy: -13.941
Dist. restrs. and SS energy: 7.609 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -195.794805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.794805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.947332 (E_RNA)
where:
Base-Base interactions energy: -137.349
where: short stacking energy: -52.624
Base-Backbone interact. energy: -0.006
local terms energy: -58.592124
where:
bonds (distance) C4'-P energy: -9.335
bonds (distance) P-C4' energy: -11.710
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -15.614
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: 84
Temperature: 0.900000
Total energy: -229.255090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.255090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.276165 (E_RNA)
where:
Base-Base interactions energy: -168.856
where: short stacking energy: -64.357
Base-Backbone interact. energy: -0.038
local terms energy: -60.381553
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -6.181
tors. eta vs tors. theta energy: -13.796
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -215.083560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.083560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.085174 (E_RNA)
where:
Base-Base interactions energy: -143.932
where: short stacking energy: -54.849
Base-Backbone interact. energy: -0.005
local terms energy: -71.148533
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -15.616
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -17.960
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -220.964575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.964575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.092410 (E_RNA)
where:
Base-Base interactions energy: -159.707
where: short stacking energy: -66.278
Base-Backbone interact. energy: -0.002
local terms energy: -61.383646
where:
bonds (distance) C4'-P energy: -10.112
bonds (distance) P-C4' energy: -8.981
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -17.835
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -228.881310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.881310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.065187 (E_RNA)
where:
Base-Base interactions energy: -164.903
where: short stacking energy: -65.502
Base-Backbone interact. energy: -0.088
local terms energy: -64.074482
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -5.026
tors. eta vs tors. theta energy: -16.707
Dist. restrs. and SS energy: 0.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -220.615130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.615130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.615130 (E_RNA)
where:
Base-Base interactions energy: -171.233
where: short stacking energy: -73.674
Base-Backbone interact. energy: -0.053
local terms energy: -49.328802
where:
bonds (distance) C4'-P energy: -8.012
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -8.412
flat angles P-C4'-P energy: -2.799
tors. eta vs tors. theta energy: -17.685
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -205.300839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.300839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.466500 (E_RNA)
where:
Base-Base interactions energy: -142.754
where: short stacking energy: -57.434
Base-Backbone interact. energy: -0.013
local terms energy: -62.699172
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -5.412
tors. eta vs tors. theta energy: -16.261
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -178.294866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.294866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.502550 (E_RNA)
where:
Base-Base interactions energy: -127.262
where: short stacking energy: -50.407
Base-Backbone interact. energy: -0.023
local terms energy: -60.217228
where:
bonds (distance) C4'-P energy: -8.378
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -12.258
Dist. restrs. and SS energy: 9.208 (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: 6
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -207.586015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.586015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.589971 (E_RNA)
where:
Base-Base interactions energy: -146.389
where: short stacking energy: -61.812
Base-Backbone interact. energy: -0.004
local terms energy: -61.196943
where:
bonds (distance) C4'-P energy: -6.688
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -19.005
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -174.833451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.833451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.093849 (E_RNA)
where:
Base-Base interactions energy: -126.495
where: short stacking energy: -55.030
Base-Backbone interact. energy: -0.613
local terms energy: -53.985617
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -8.235
flat angles C4'-P-C4' energy: -13.818
flat angles P-C4'-P energy: -5.393
tors. eta vs tors. theta energy: -14.400
Dist. restrs. and SS energy: 6.260 (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: 9
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -196.787152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.787152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.909203 (E_RNA)
where:
Base-Base interactions energy: -137.182
where: short stacking energy: -55.429
Base-Backbone interact. energy: 0.179
local terms energy: -59.906675
where:
bonds (distance) C4'-P energy: -9.727
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -7.546
tors. eta vs tors. theta energy: -16.147
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -234.626569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.626569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.626569 (E_RNA)
where:
Base-Base interactions energy: -174.402
where: short stacking energy: -69.382
Base-Backbone interact. energy: -0.002
local terms energy: -60.222524
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -10.459
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -5.418
tors. eta vs tors. theta energy: -16.167
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -229.424048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.424048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.500577 (E_RNA)
where:
Base-Base interactions energy: -161.222
where: short stacking energy: -67.440
Base-Backbone interact. energy: -0.001
local terms energy: -68.277929
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -17.619
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: 7
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -226.989914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.989914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.999914 (E_RNA)
where:
Base-Base interactions energy: -166.440
where: short stacking energy: -65.888
Base-Backbone interact. energy: -0.000
local terms energy: -60.559831
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -9.836
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -16.633
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: 10
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -222.176061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.176061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.210817 (E_RNA)
where:
Base-Base interactions energy: -163.182
where: short stacking energy: -63.524
Base-Backbone interact. energy: -0.016
local terms energy: -59.012692
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -6.019
tors. eta vs tors. theta energy: -14.489
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -220.044214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.044214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.044214 (E_RNA)
where:
Base-Base interactions energy: -162.283
where: short stacking energy: -65.367
Base-Backbone interact. energy: -0.003
local terms energy: -57.758225
where:
bonds (distance) C4'-P energy: -11.046
bonds (distance) P-C4' energy: -10.295
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -4.697
tors. eta vs tors. theta energy: -17.368
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -208.482844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.482844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.518391 (E_RNA)
where:
Base-Base interactions energy: -144.493
where: short stacking energy: -60.652
Base-Backbone interact. energy: -0.241
local terms energy: -63.783704
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -12.507
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -181.832778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.832778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.277077 (E_RNA)
where:
Base-Base interactions energy: -126.164
where: short stacking energy: -50.357
Base-Backbone interact. energy: -0.031
local terms energy: -62.081376
where:
bonds (distance) C4'-P energy: -9.938
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -12.891
Dist. restrs. and SS energy: 6.444 (S_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: 85
Temperature: 1.250000
Total energy: -181.276861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.276861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.076199 (E_RNA)
where:
Base-Base interactions energy: -134.284
where: short stacking energy: -56.942
Base-Backbone interact. energy: -0.039
local terms energy: -54.753751
where:
bonds (distance) C4'-P energy: -6.989
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -14.262
Dist. restrs. and SS energy: 7.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -196.954987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.954987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.987185 (E_RNA)
where:
Base-Base interactions energy: -137.723
where: short stacking energy: -58.271
Base-Backbone interact. energy: -0.003
local terms energy: -59.260709
where:
bonds (distance) C4'-P energy: -11.730
bonds (distance) P-C4' energy: -11.486
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -13.498
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: 85
Temperature: 1.350000
Total energy: -194.254075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.254075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.387419 (E_RNA)
where:
Base-Base interactions energy: -141.120
where: short stacking energy: -55.977
Base-Backbone interact. energy: -0.308
local terms energy: -52.960142
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -2.930
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -15.663
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: 3
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -229.906335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.906335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.962392 (E_RNA)
where:
Base-Base interactions energy: -168.956
where: short stacking energy: -70.837
Base-Backbone interact. energy: -0.049
local terms energy: -60.957086
where:
bonds (distance) C4'-P energy: -8.232
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -16.434
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -219.004531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.004531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.042436 (E_RNA)
where:
Base-Base interactions energy: -148.615
where: short stacking energy: -62.842
Base-Backbone interact. energy: -0.371
local terms energy: -70.055800
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -18.330
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -223.064735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.064735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.117764 (E_RNA)
where:
Base-Base interactions energy: -166.580
where: short stacking energy: -67.106
Base-Backbone interact. energy: -1.288
local terms energy: -55.249936
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -9.301
flat angles P-C4'-P energy: -5.113
tors. eta vs tors. theta energy: -14.604
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: 7
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -224.010020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.010020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.015799 (E_RNA)
where:
Base-Base interactions energy: -163.967
where: short stacking energy: -58.922
Base-Backbone interact. energy: -0.096
local terms energy: -59.951898
where:
bonds (distance) C4'-P energy: -10.945
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -2.280
tors. eta vs tors. theta energy: -15.367
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: 86
Temperature: 1.100000
Total energy: -224.317760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.317760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.347153 (E_RNA)
where:
Base-Base interactions energy: -169.439
where: short stacking energy: -67.669
Base-Backbone interact. energy: -0.005
local terms energy: -54.903513
where:
bonds (distance) C4'-P energy: -11.286
bonds (distance) P-C4' energy: -12.505
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -3.235
tors. eta vs tors. theta energy: -14.444
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -208.884577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.884577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.106159 (E_RNA)
where:
Base-Base interactions energy: -157.339
where: short stacking energy: -59.080
Base-Backbone interact. energy: -0.017
local terms energy: -51.749984
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -9.243
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -6.249
tors. eta vs tors. theta energy: -11.303
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: 4
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -195.703781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.703781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.379199 (E_RNA)
where:
Base-Base interactions energy: -135.491
where: short stacking energy: -56.988
Base-Backbone interact. energy: 0.496
local terms energy: -68.383607
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -15.799
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -15.311
Dist. restrs. and SS energy: 7.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -183.313830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.313830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.445747 (E_RNA)
where:
Base-Base interactions energy: -132.767
where: short stacking energy: -57.011
Base-Backbone interact. energy: -0.504
local terms energy: -57.174252
where:
bonds (distance) C4'-P energy: -11.067
bonds (distance) P-C4' energy: -10.967
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -12.982
Dist. restrs. and SS energy: 7.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -193.675760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.675760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.825086 (E_RNA)
where:
Base-Base interactions energy: -134.479
where: short stacking energy: -59.498
Base-Backbone interact. energy: 0.258
local terms energy: -59.604261
where:
bonds (distance) C4'-P energy: -7.983
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -14.652
Dist. restrs. and SS energy: 0.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -193.181452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.181452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.552919 (E_RNA)
where:
Base-Base interactions energy: -132.786
where: short stacking energy: -56.111
Base-Backbone interact. energy: -0.649
local terms energy: -60.118723
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -10.164
flat angles C4'-P-C4' energy: -10.270
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -16.544
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: 87
Temperature: 0.900000
Total energy: -235.018167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.018167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.038964 (E_RNA)
where:
Base-Base interactions energy: -169.061
where: short stacking energy: -64.744
Base-Backbone interact. energy: -0.004
local terms energy: -65.973528
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -4.894
tors. eta vs tors. theta energy: -15.803
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -232.370388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.370388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.452424 (E_RNA)
where:
Base-Base interactions energy: -173.493
where: short stacking energy: -68.123
Base-Backbone interact. energy: -0.084
local terms energy: -58.876140
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -1.798
tors. eta vs tors. theta energy: -16.492
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -216.219295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.219295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.259750 (E_RNA)
where:
Base-Base interactions energy: -157.784
where: short stacking energy: -61.958
Base-Backbone interact. energy: -0.842
local terms energy: -57.633786
where:
bonds (distance) C4'-P energy: -11.035
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -3.839
tors. eta vs tors. theta energy: -17.117
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -225.729984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.729984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.729984 (E_RNA)
where:
Base-Base interactions energy: -160.658
where: short stacking energy: -61.364
Base-Backbone interact. energy: -0.308
local terms energy: -64.764091
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -5.611
tors. eta vs tors. theta energy: -16.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -216.522943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.522943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.613051 (E_RNA)
where:
Base-Base interactions energy: -158.587
where: short stacking energy: -62.239
Base-Backbone interact. energy: -0.025
local terms energy: -58.001504
where:
bonds (distance) C4'-P energy: -6.931
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -5.282
tors. eta vs tors. theta energy: -17.572
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -205.326460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.326460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.571782 (E_RNA)
where:
Base-Base interactions energy: -142.118
where: short stacking energy: -58.046
Base-Backbone interact. energy: -0.164
local terms energy: -63.289958
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -14.318
Dist. restrs. and SS energy: 0.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -191.435831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.435831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.736291 (E_RNA)
where:
Base-Base interactions energy: -137.195
where: short stacking energy: -57.713
Base-Backbone interact. energy: -0.701
local terms energy: -60.839588
where:
bonds (distance) C4'-P energy: -10.403
bonds (distance) P-C4' energy: -11.448
flat angles C4'-P-C4' energy: -13.215
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -16.858
Dist. restrs. and SS energy: 7.300 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -205.837025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.837025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.918075 (E_RNA)
where:
Base-Base interactions energy: -145.053
where: short stacking energy: -57.845
Base-Backbone interact. energy: -0.045
local terms energy: -60.819896
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -11.684
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: 87
Temperature: 1.300000
Total energy: -181.036186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.036186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.213214 (E_RNA)
where:
Base-Base interactions energy: -132.437
where: short stacking energy: -52.671
Base-Backbone interact. energy: -1.040
local terms energy: -55.736344
where:
bonds (distance) C4'-P energy: -8.613
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -10.997
flat angles P-C4'-P energy: -7.182
tors. eta vs tors. theta energy: -15.508
Dist. restrs. and SS energy: 8.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -217.509052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.509052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.605527 (E_RNA)
where:
Base-Base interactions energy: -159.614
where: short stacking energy: -62.228
Base-Backbone interact. energy: -0.006
local terms energy: -57.984898
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -10.118
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -4.450
tors. eta vs tors. theta energy: -14.417
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -233.898111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.898111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.924979 (E_RNA)
where:
Base-Base interactions energy: -172.261
where: short stacking energy: -70.043
Base-Backbone interact. energy: -0.125
local terms energy: -61.539580
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -8.022
tors. eta vs tors. theta energy: -15.605
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -237.552114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.552114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.626586 (E_RNA)
where:
Base-Base interactions energy: -171.762
where: short stacking energy: -72.535
Base-Backbone interact. energy: -0.002
local terms energy: -65.862708
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -4.339
tors. eta vs tors. theta energy: -17.833
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: 88
Temperature: 1.000000
Total energy: -222.509521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.509521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.762399 (E_RNA)
where:
Base-Base interactions energy: -162.429
where: short stacking energy: -67.341
Base-Backbone interact. energy: -0.733
local terms energy: -59.599856
where:
bonds (distance) C4'-P energy: -9.263
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -5.934
tors. eta vs tors. theta energy: -17.146
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: 1
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -211.928618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.928618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.021534 (E_RNA)
where:
Base-Base interactions energy: -142.901
where: short stacking energy: -63.235
Base-Backbone interact. energy: -0.003
local terms energy: -69.117434
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -17.245
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: 2
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -208.743741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.743741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.812244 (E_RNA)
where:
Base-Base interactions energy: -144.185
where: short stacking energy: -58.214
Base-Backbone interact. energy: -0.196
local terms energy: -64.430694
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -15.418
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -208.495093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.495093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.495093 (E_RNA)
where:
Base-Base interactions energy: -145.487
where: short stacking energy: -56.978
Base-Backbone interact. energy: 0.155
local terms energy: -63.162533
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -10.207
flat angles C4'-P-C4' energy: -10.648
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -17.063
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -212.847366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.847366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.948792 (E_RNA)
where:
Base-Base interactions energy: -145.648
where: short stacking energy: -61.281
Base-Backbone interact. energy: -0.068
local terms energy: -67.232905
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -14.419
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -189.175712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.175712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.386290 (E_RNA)
where:
Base-Base interactions energy: -136.378
where: short stacking energy: -57.337
Base-Backbone interact. energy: -0.086
local terms energy: -59.922959
where:
bonds (distance) C4'-P energy: -9.689
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -5.602
tors. eta vs tors. theta energy: -15.991
Dist. restrs. and SS energy: 7.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -206.105142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.105142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.259737 (E_RNA)
where:
Base-Base interactions energy: -141.645
where: short stacking energy: -59.749
Base-Backbone interact. energy: -0.485
local terms energy: -64.129565
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -12.783
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -16.219
Dist. restrs. and SS energy: 0.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -174.619364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.619364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.835342 (E_RNA)
where:
Base-Base interactions energy: -121.314
where: short stacking energy: -50.179
Base-Backbone interact. energy: -0.055
local terms energy: -60.466197
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -11.377
flat angles P-C4'-P energy: -9.019
tors. eta vs tors. theta energy: -13.278
Dist. restrs. and SS energy: 7.216 (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: 10
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -228.420708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.420708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.454173 (E_RNA)
where:
Base-Base interactions energy: -168.176
where: short stacking energy: -67.760
Base-Backbone interact. energy: -0.011
local terms energy: -60.266532
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -13.083
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -5.330
tors. eta vs tors. theta energy: -16.332
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: 7
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -226.115491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.115491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.125474 (E_RNA)
where:
Base-Base interactions energy: -162.830
where: short stacking energy: -61.197
Base-Backbone interact. energy: -0.015
local terms energy: -63.280223
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -5.819
tors. eta vs tors. theta energy: -14.502
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -227.997491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.997491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.053241 (E_RNA)
where:
Base-Base interactions energy: -167.799
where: short stacking energy: -68.998
Base-Backbone interact. energy: -0.015
local terms energy: -60.239054
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -12.846
flat angles C4'-P-C4' energy: -13.189
flat angles P-C4'-P energy: -6.231
tors. eta vs tors. theta energy: -15.912
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -234.749569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.749569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.813435 (E_RNA)
where:
Base-Base interactions energy: -169.369
where: short stacking energy: -72.026
Base-Backbone interact. energy: -0.025
local terms energy: -65.419541
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -12.684
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -6.166
tors. eta vs tors. theta energy: -18.758
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: 1
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -207.190458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.190458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.225336 (E_RNA)
where:
Base-Base interactions energy: -141.302
where: short stacking energy: -56.020
Base-Backbone interact. energy: -0.001
local terms energy: -65.922156
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -16.457
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: 6
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -207.452152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.452152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.540925 (E_RNA)
where:
Base-Base interactions energy: -145.770
where: short stacking energy: -64.330
Base-Backbone interact. energy: -0.000
local terms energy: -61.770500
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -11.498
flat angles C4'-P-C4' energy: -11.438
flat angles P-C4'-P energy: -6.778
tors. eta vs tors. theta energy: -17.965
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -207.018734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.018734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.176482 (E_RNA)
where:
Base-Base interactions energy: -145.096
where: short stacking energy: -62.368
Base-Backbone interact. energy: 0.421
local terms energy: -62.501820
where:
bonds (distance) C4'-P energy: -9.991
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -17.336
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: 9
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -209.995741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.995741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.109163 (E_RNA)
where:
Base-Base interactions energy: -152.955
where: short stacking energy: -56.611
Base-Backbone interact. energy: -0.074
local terms energy: -57.080322
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -9.299
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -5.663
tors. eta vs tors. theta energy: -15.986
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: 89
Temperature: 1.300000
Total energy: -175.105773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.105773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.369630 (E_RNA)
where:
Base-Base interactions energy: -127.450
where: short stacking energy: -57.549
Base-Backbone interact. energy: -0.016
local terms energy: -56.903728
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -13.466
flat angles C4'-P-C4' energy: -7.833
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -12.288
Dist. restrs. and SS energy: 9.264 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -165.268459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.268459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.288321 (E_RNA)
where:
Base-Base interactions energy: -121.147
where: short stacking energy: -52.476
Base-Backbone interact. energy: -0.663
local terms energy: -50.477596
where:
bonds (distance) C4'-P energy: -10.326
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -11.208
flat angles P-C4'-P energy: -6.000
tors. eta vs tors. theta energy: -10.554
Dist. restrs. and SS energy: 7.020 (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: 7
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -231.369392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.369392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.374938 (E_RNA)
where:
Base-Base interactions energy: -174.414
where: short stacking energy: -72.004
Base-Backbone interact. energy: -0.010
local terms energy: -56.950878
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -8.723
flat angles C4'-P-C4' energy: -12.005
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -17.815
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -228.445096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.445096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.533506 (E_RNA)
where:
Base-Base interactions energy: -164.220
where: short stacking energy: -68.086
Base-Backbone interact. energy: -0.003
local terms energy: -64.310359
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -12.426
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -7.224
tors. eta vs tors. theta energy: -14.365
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -228.323781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.323781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.332123 (E_RNA)
where:
Base-Base interactions energy: -167.696
where: short stacking energy: -63.090
Base-Backbone interact. energy: 0.244
local terms energy: -60.879564
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -2.413
tors. eta vs tors. theta energy: -18.293
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: 90
Temperature: 1.050000
Total energy: -219.021675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.021675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.189958 (E_RNA)
where:
Base-Base interactions energy: -159.247
where: short stacking energy: -63.305
Base-Backbone interact. energy: -0.003
local terms energy: -59.939339
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -3.681
tors. eta vs tors. theta energy: -16.074
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: 5, replica: 6
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -204.338472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.338472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.450173 (E_RNA)
where:
Base-Base interactions energy: -141.253
where: short stacking energy: -57.547
Base-Backbone interact. energy: -0.001
local terms energy: -63.196424
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -11.262
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -15.835
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -203.382214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.382214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.576732 (E_RNA)
where:
Base-Base interactions energy: -143.251
where: short stacking energy: -51.695
Base-Backbone interact. energy: 0.327
local terms energy: -60.653215
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -10.941
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -10.873
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: 7, replica: 9
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -202.905737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.905737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.905737 (E_RNA)
where:
Base-Base interactions energy: -138.621
where: short stacking energy: -52.274
Base-Backbone interact. energy: -0.577
local terms energy: -63.706958
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -12.053
flat angles C4'-P-C4' energy: -15.599
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -14.475
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -196.887898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.887898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.926763 (E_RNA)
where:
Base-Base interactions energy: -139.158
where: short stacking energy: -59.688
Base-Backbone interact. energy: -0.163
local terms energy: -57.606173
where:
bonds (distance) C4'-P energy: -5.951
bonds (distance) P-C4' energy: -8.148
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -17.697
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -169.308092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.308092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.963110 (E_RNA)
where:
Base-Base interactions energy: -120.555
where: short stacking energy: -48.232
Base-Backbone interact. energy: -0.022
local terms energy: -56.386213
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -10.507
flat angles P-C4'-P energy: -6.191
tors. eta vs tors. theta energy: -13.220
Dist. restrs. and SS energy: 7.655 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -179.342997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.342997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.456496 (E_RNA)
where:
Base-Base interactions energy: -135.063
where: short stacking energy: -54.209
Base-Backbone interact. energy: -0.065
local terms energy: -51.328507
where:
bonds (distance) C4'-P energy: -10.700
bonds (distance) P-C4' energy: -6.633
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: -13.973
Dist. restrs. and SS energy: 7.113 (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: 91
Temperature: 0.900000
Total energy: -230.904754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.904754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.942956 (E_RNA)
where:
Base-Base interactions energy: -167.190
where: short stacking energy: -67.093
Base-Backbone interact. energy: -0.002
local terms energy: -63.750698
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -4.432
tors. eta vs tors. theta energy: -17.383
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -226.753291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.753291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.955260 (E_RNA)
where:
Base-Base interactions energy: -163.711
where: short stacking energy: -63.950
Base-Backbone interact. energy: -0.017
local terms energy: -63.228146
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -6.250
tors. eta vs tors. theta energy: -16.790
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: 3, replica: 10
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -227.509006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.509006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.533464 (E_RNA)
where:
Base-Base interactions energy: -170.452
where: short stacking energy: -65.510
Base-Backbone interact. energy: -0.001
local terms energy: -57.080622
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -0.824
tors. eta vs tors. theta energy: -15.742
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -222.086736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.086736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.157595 (E_RNA)
where:
Base-Base interactions energy: -163.672
where: short stacking energy: -64.436
Base-Backbone interact. energy: -0.354
local terms energy: -58.132080
where:
bonds (distance) C4'-P energy: -11.377
bonds (distance) P-C4' energy: -11.505
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -5.773
tors. eta vs tors. theta energy: -15.625
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: 6
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -205.461088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.461088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.524398 (E_RNA)
where:
Base-Base interactions energy: -141.531
where: short stacking energy: -58.789
Base-Backbone interact. energy: -0.073
local terms energy: -63.919728
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -14.261
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -203.543568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.543568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.543568 (E_RNA)
where:
Base-Base interactions energy: -146.792
where: short stacking energy: -56.975
Base-Backbone interact. energy: -0.096
local terms energy: -56.655918
where:
bonds (distance) C4'-P energy: -9.168
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -11.310
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -14.527
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -203.148754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.148754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.270430 (E_RNA)
where:
Base-Base interactions energy: -145.857
where: short stacking energy: -58.264
Base-Backbone interact. energy: -0.261
local terms energy: -57.152424
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -10.952
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -11.700
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -193.420562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.420562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.497673 (E_RNA)
where:
Base-Base interactions energy: -137.631
where: short stacking energy: -52.105
Base-Backbone interact. energy: -0.249
local terms energy: -55.616821
where:
bonds (distance) C4'-P energy: -11.778
bonds (distance) P-C4' energy: -9.288
flat angles C4'-P-C4' energy: -9.082
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -17.047
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -170.826319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.826319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.397048 (E_RNA)
where:
Base-Base interactions energy: -129.606
where: short stacking energy: -55.268
Base-Backbone interact. energy: -0.000
local terms energy: -48.790156
where:
bonds (distance) C4'-P energy: -6.421
bonds (distance) P-C4' energy: -13.752
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -4.491
tors. eta vs tors. theta energy: -11.960
Dist. restrs. and SS energy: 7.571 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -178.987478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.987478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.448106 (E_RNA)
where:
Base-Base interactions energy: -134.892
where: short stacking energy: -54.313
Base-Backbone interact. energy: -0.461
local terms energy: -52.096023
where:
bonds (distance) C4'-P energy: -8.086
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -12.326
flat angles P-C4'-P energy: -3.862
tors. eta vs tors. theta energy: -14.536
Dist. restrs. and SS energy: 8.461 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -213.703559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.703559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.798350 (E_RNA)
where:
Base-Base interactions energy: -146.202
where: short stacking energy: -63.399
Base-Backbone interact. energy: -0.696
local terms energy: -66.900802
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -16.253
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -217.808923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.808923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.853870 (E_RNA)
where:
Base-Base interactions energy: -146.846
where: short stacking energy: -62.503
Base-Backbone interact. energy: -0.000
local terms energy: -71.007580
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -18.645
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: 92
Temperature: 1.000000
Total energy: -211.298228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.298228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.494492 (E_RNA)
where:
Base-Base interactions energy: -148.893
where: short stacking energy: -62.207
Base-Backbone interact. energy: -0.086
local terms energy: -62.514889
where:
bonds (distance) C4'-P energy: -8.098
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -14.763
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: 4, replica: 10
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -224.628327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.628327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.679713 (E_RNA)
where:
Base-Base interactions energy: -165.886
where: short stacking energy: -61.789
Base-Backbone interact. energy: -0.298
local terms energy: -58.496020
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -14.288
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -3.081
tors. eta vs tors. theta energy: -16.082
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: 9
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -210.355007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.355007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.489254 (E_RNA)
where:
Base-Base interactions energy: -151.853
where: short stacking energy: -62.110
Base-Backbone interact. energy: -0.197
local terms energy: -58.439267
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -8.869
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -7.118
tors. eta vs tors. theta energy: -15.319
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -203.495109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.495109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.694811 (E_RNA)
where:
Base-Base interactions energy: -142.529
where: short stacking energy: -59.886
Base-Backbone interact. energy: -0.001
local terms energy: -61.164443
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: -13.961
Dist. restrs. and SS energy: 0.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -201.803411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.803411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.803411 (E_RNA)
where:
Base-Base interactions energy: -149.310
where: short stacking energy: -59.278
Base-Backbone interact. energy: -0.171
local terms energy: -52.322588
where:
bonds (distance) C4'-P energy: -8.277
bonds (distance) P-C4' energy: -11.348
flat angles C4'-P-C4' energy: -8.282
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -14.887
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -202.364894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.364894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.581003 (E_RNA)
where:
Base-Base interactions energy: -150.396
where: short stacking energy: -55.519
Base-Backbone interact. energy: 0.867
local terms energy: -53.052356
where:
bonds (distance) C4'-P energy: -5.566
bonds (distance) P-C4' energy: -9.984
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -14.396
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: 4
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -183.337838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.337838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.339515 (E_RNA)
where:
Base-Base interactions energy: -126.690
where: short stacking energy: -53.631
Base-Backbone interact. energy: -0.984
local terms energy: -62.666376
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -7.933
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -17.272
Dist. restrs. and SS energy: 7.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -180.447226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.447226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.219916 (E_RNA)
where:
Base-Base interactions energy: -125.846
where: short stacking energy: -50.885
Base-Backbone interact. energy: -0.582
local terms energy: -60.792769
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -11.365
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: -14.279
Dist. restrs. and SS energy: 6.773 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -210.456353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.456353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.636395 (E_RNA)
where:
Base-Base interactions energy: -145.932
where: short stacking energy: -60.738
Base-Backbone interact. energy: -0.042
local terms energy: -64.662537
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -15.777
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: 2, replica: 3
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -227.426846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.426846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.486043 (E_RNA)
where:
Base-Base interactions energy: -158.594
where: short stacking energy: -63.079
Base-Backbone interact. energy: -0.000
local terms energy: -68.891823
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -15.975
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: 93
Temperature: 1.000000
Total energy: -217.180692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.180692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.239057 (E_RNA)
where:
Base-Base interactions energy: -154.366
where: short stacking energy: -63.204
Base-Backbone interact. energy: -0.408
local terms energy: -62.465142
where:
bonds (distance) C4'-P energy: -10.543
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -5.549
tors. eta vs tors. theta energy: -18.121
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -212.261705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.261705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.310282 (E_RNA)
where:
Base-Base interactions energy: -159.625
where: short stacking energy: -58.378
Base-Backbone interact. energy: -0.002
local terms energy: -52.683249
where:
bonds (distance) C4'-P energy: -7.321
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -2.748
tors. eta vs tors. theta energy: -14.023
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -205.527535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.527535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.527535 (E_RNA)
where:
Base-Base interactions energy: -145.412
where: short stacking energy: -54.965
Base-Backbone interact. energy: -0.018
local terms energy: -60.096915
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -10.380
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -201.976018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.976018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.031910 (E_RNA)
where:
Base-Base interactions energy: -137.368
where: short stacking energy: -54.547
Base-Backbone interact. energy: -0.344
local terms energy: -64.319631
where:
bonds (distance) C4'-P energy: -8.766
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -16.243
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: 6
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -200.464181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.464181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.542481 (E_RNA)
where:
Base-Base interactions energy: -134.808
where: short stacking energy: -50.003
Base-Backbone interact. energy: -0.109
local terms energy: -65.625364
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -13.967
flat angles C4'-P-C4' energy: -10.533
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -14.365
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: 93
Temperature: 1.250000
Total energy: -182.513409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.513409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.614782 (E_RNA)
where:
Base-Base interactions energy: -136.851
where: short stacking energy: -58.720
Base-Backbone interact. energy: 0.097
local terms energy: -54.860273
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -6.877
flat angles C4'-P-C4' energy: -10.938
flat angles P-C4'-P energy: -5.295
tors. eta vs tors. theta energy: -17.792
Dist. restrs. and SS energy: 9.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -193.074114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.074114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.074114 (E_RNA)
where:
Base-Base interactions energy: -137.630
where: short stacking energy: -56.017
Base-Backbone interact. energy: -0.001
local terms energy: -55.443231
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -6.743
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -13.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -176.665638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.665638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.493908 (E_RNA)
where:
Base-Base interactions energy: -131.469
where: short stacking energy: -55.302
Base-Backbone interact. energy: -0.004
local terms energy: -53.021333
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -11.294
flat angles C4'-P-C4' energy: -9.499
flat angles P-C4'-P energy: -6.273
tors. eta vs tors. theta energy: -15.120
Dist. restrs. and SS energy: 7.828 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -218.646855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.646855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.646855 (E_RNA)
where:
Base-Base interactions energy: -153.451
where: short stacking energy: -56.022
Base-Backbone interact. energy: -0.009
local terms energy: -65.186593
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -13.261
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -17.913
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -217.681507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.681507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.734853 (E_RNA)
where:
Base-Base interactions energy: -148.648
where: short stacking energy: -61.643
Base-Backbone interact. energy: -0.003
local terms energy: -69.083967
where:
bonds (distance) C4'-P energy: -13.487
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -17.357
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -215.682077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.682077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.691998 (E_RNA)
where:
Base-Base interactions energy: -147.798
where: short stacking energy: -61.403
Base-Backbone interact. energy: -0.002
local terms energy: -67.892545
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -14.120
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: 94
Temperature: 1.050000
Total energy: -214.046476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.046476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.102123 (E_RNA)
where:
Base-Base interactions energy: -153.465
where: short stacking energy: -63.555
Base-Backbone interact. energy: -0.453
local terms energy: -60.184071
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -11.434
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -15.153
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -215.834990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.834990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.969059 (E_RNA)
where:
Base-Base interactions energy: -159.694
where: short stacking energy: -66.357
Base-Backbone interact. energy: 0.245
local terms energy: -56.520580
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -11.852
flat angles P-C4'-P energy: -0.713
tors. eta vs tors. theta energy: -18.323
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -205.891392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.891392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.947138 (E_RNA)
where:
Base-Base interactions energy: -143.977
where: short stacking energy: -60.137
Base-Backbone interact. energy: -0.095
local terms energy: -61.875161
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -9.302
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -15.570
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: 6
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -202.649607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.649607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.849765 (E_RNA)
where:
Base-Base interactions energy: -140.282
where: short stacking energy: -60.214
Base-Backbone interact. energy: -0.065
local terms energy: -62.503417
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -12.976
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: 4
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -180.576522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.576522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.367047 (E_RNA)
where:
Base-Base interactions energy: -128.785
where: short stacking energy: -56.617
Base-Backbone interact. energy: 0.689
local terms energy: -60.271093
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -14.524
Dist. restrs. and SS energy: 7.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -196.749758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.749758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.089352 (E_RNA)
where:
Base-Base interactions energy: -133.173
where: short stacking energy: -52.376
Base-Backbone interact. energy: -0.008
local terms energy: -63.908541
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -12.523
flat angles C4'-P-C4' energy: -10.124
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -16.597
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: 10, replica: 5
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -169.697226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.697226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.642221 (E_RNA)
where:
Base-Base interactions energy: -117.586
where: short stacking energy: -49.605
Base-Backbone interact. energy: -0.429
local terms energy: -60.626354
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -11.155
flat angles P-C4'-P energy: -5.761
tors. eta vs tors. theta energy: -15.394
Dist. restrs. and SS energy: 8.945 (S_DIST_RNA)
chem. 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: -230.209981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.209981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.262762 (E_RNA)
where:
Base-Base interactions energy: -162.640
where: short stacking energy: -64.336
Base-Backbone interact. energy: -0.054
local terms energy: -67.568269
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -5.549
tors. eta vs tors. theta energy: -18.019
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -229.142002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.142002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.149466 (E_RNA)
where:
Base-Base interactions energy: -165.166
where: short stacking energy: -65.270
Base-Backbone interact. energy: -0.157
local terms energy: -63.826970
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -6.794
tors. eta vs tors. theta energy: -14.936
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: 95
Temperature: 1.000000
Total energy: -213.739165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.739165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.741161 (E_RNA)
where:
Base-Base interactions energy: -155.039
where: short stacking energy: -65.304
Base-Backbone interact. energy: -0.262
local terms energy: -58.440166
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -11.552
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: -13.793
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -217.336936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.336936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.336936 (E_RNA)
where:
Base-Base interactions energy: -156.679
where: short stacking energy: -68.358
Base-Backbone interact. energy: -0.239
local terms energy: -60.418999
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -4.651
tors. eta vs tors. theta energy: -17.223
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -203.561590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.561590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.648942 (E_RNA)
where:
Base-Base interactions energy: -143.176
where: short stacking energy: -57.692
Base-Backbone interact. energy: -0.049
local terms energy: -60.424649
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -6.534
tors. eta vs tors. theta energy: -12.451
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: 6
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -209.135830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.135830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.135830 (E_RNA)
where:
Base-Base interactions energy: -153.048
where: short stacking energy: -59.552
Base-Backbone interact. energy: -0.001
local terms energy: -56.086309
where:
bonds (distance) C4'-P energy: -10.906
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -4.877
tors. eta vs tors. theta energy: -13.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -203.291947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.291947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.291947 (E_RNA)
where:
Base-Base interactions energy: -140.691
where: short stacking energy: -58.125
Base-Backbone interact. energy: -0.250
local terms energy: -62.351824
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -13.235
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -14.385
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -198.694098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.694098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.831427 (E_RNA)
where:
Base-Base interactions energy: -136.722
where: short stacking energy: -53.982
Base-Backbone interact. energy: -0.155
local terms energy: -61.955341
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -9.492
tors. eta vs tors. theta energy: -13.470
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -170.923186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.923186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.797666 (E_RNA)
where:
Base-Base interactions energy: -124.227
where: short stacking energy: -56.048
Base-Backbone interact. energy: -0.028
local terms energy: -53.541952
where:
bonds (distance) C4'-P energy: -8.050
bonds (distance) P-C4' energy: -11.300
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -7.801
tors. eta vs tors. theta energy: -13.095
Dist. restrs. and SS energy: 6.874 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -179.405499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.405499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.365730 (E_RNA)
where:
Base-Base interactions energy: -127.034
where: short stacking energy: -52.841
Base-Backbone interact. energy: -0.008
local terms energy: -60.324246
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -12.861
Dist. restrs. and SS energy: 7.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -232.366969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.366969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.366969 (E_RNA)
where:
Base-Base interactions energy: -172.826
where: short stacking energy: -66.701
Base-Backbone interact. energy: -0.001
local terms energy: -59.539856
where:
bonds (distance) C4'-P energy: -11.595
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -3.386
tors. eta vs tors. theta energy: -17.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -212.566176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.566176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.860923 (E_RNA)
where:
Base-Base interactions energy: -146.154
where: short stacking energy: -57.449
Base-Backbone interact. energy: -0.770
local terms energy: -65.936291
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -16.253
flat angles C4'-P-C4' energy: -12.258
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -16.079
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: 3, replica: 7
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -214.089065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.089065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.122521 (E_RNA)
where:
Base-Base interactions energy: -148.202
where: short stacking energy: -61.478
Base-Backbone interact. energy: -0.000
local terms energy: -65.919766
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -7.239
tors. eta vs tors. theta energy: -16.919
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -207.991216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.991216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.027435 (E_RNA)
where:
Base-Base interactions energy: -142.298
where: short stacking energy: -55.446
Base-Backbone interact. energy: 0.467
local terms energy: -66.197148
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -16.031
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -9.245
tors. eta vs tors. theta energy: -14.084
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -208.410217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.410217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.469697 (E_RNA)
where:
Base-Base interactions energy: -140.837
where: short stacking energy: -59.506
Base-Backbone interact. energy: 1.214
local terms energy: -68.846771
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -16.985
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -205.924467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.924467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.026840 (E_RNA)
where:
Base-Base interactions energy: -148.875
where: short stacking energy: -58.846
Base-Backbone interact. energy: -0.122
local terms energy: -57.029638
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -10.333
flat angles C4'-P-C4' energy: -12.762
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -12.576
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -206.190115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.190115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.287637 (E_RNA)
where:
Base-Base interactions energy: -138.109
where: short stacking energy: -57.807
Base-Backbone interact. energy: 0.786
local terms energy: -68.964705
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -18.097
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: 96
Temperature: 1.250000
Total energy: -195.138856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.138856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.395196 (E_RNA)
where:
Base-Base interactions energy: -139.201
where: short stacking energy: -56.176
Base-Backbone interact. energy: -0.123
local terms energy: -56.071843
where:
bonds (distance) C4'-P energy: -6.692
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -14.004
Dist. restrs. and SS energy: 0.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -174.967269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.967269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.132554 (E_RNA)
where:
Base-Base interactions energy: -130.944
where: short stacking energy: -54.285
Base-Backbone interact. energy: -0.018
local terms energy: -51.169972
where:
bonds (distance) C4'-P energy: -9.728
bonds (distance) P-C4' energy: -10.963
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -7.221
tors. eta vs tors. theta energy: -11.554
Dist. restrs. and SS energy: 7.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -167.782515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.782515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.896627 (E_RNA)
where:
Base-Base interactions energy: -116.510
where: short stacking energy: -47.186
Base-Backbone interact. energy: -1.084
local terms energy: -57.302775
where:
bonds (distance) C4'-P energy: -6.381
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -14.978
Dist. restrs. and SS energy: 7.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -237.541989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.541989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.603966 (E_RNA)
where:
Base-Base interactions energy: -172.342
where: short stacking energy: -71.076
Base-Backbone interact. energy: -0.001
local terms energy: -65.261058
where:
bonds (distance) C4'-P energy: -12.673
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -4.031
tors. eta vs tors. theta energy: -18.353
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: 7
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -211.915176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.915176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.990700 (E_RNA)
where:
Base-Base interactions energy: -152.564
where: short stacking energy: -63.736
Base-Backbone interact. energy: -0.001
local terms energy: -59.425612
where:
bonds (distance) C4'-P energy: -6.973
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -16.388
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -214.924914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.924914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.952853 (E_RNA)
where:
Base-Base interactions energy: -149.060
where: short stacking energy: -60.989
Base-Backbone interact. energy: -0.044
local terms energy: -65.849001
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -7.037
tors. eta vs tors. theta energy: -16.453
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -210.182268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.182268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.276286 (E_RNA)
where:
Base-Base interactions energy: -146.200
where: short stacking energy: -57.886
Base-Backbone interact. energy: -0.014
local terms energy: -64.062973
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -11.165
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -15.411
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -202.661751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.661751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.716149 (E_RNA)
where:
Base-Base interactions energy: -140.564
where: short stacking energy: -56.252
Base-Backbone interact. energy: -0.347
local terms energy: -61.805705
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -5.804
tors. eta vs tors. theta energy: -15.507
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: 97
Temperature: 1.150000
Total energy: -205.519978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.519978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.586898 (E_RNA)
where:
Base-Base interactions energy: -150.523
where: short stacking energy: -59.676
Base-Backbone interact. energy: -0.004
local terms energy: -55.060150
where:
bonds (distance) C4'-P energy: -8.439
bonds (distance) P-C4' energy: -10.040
flat angles C4'-P-C4' energy: -12.347
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -15.983
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -209.973822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.973822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.009137 (E_RNA)
where:
Base-Base interactions energy: -149.667
where: short stacking energy: -61.911
Base-Backbone interact. energy: -0.006
local terms energy: -60.336413
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -9.434
flat angles P-C4'-P energy: -7.761
tors. eta vs tors. theta energy: -14.698
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: 5
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -190.598032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.598032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.881950 (E_RNA)
where:
Base-Base interactions energy: -132.503
where: short stacking energy: -57.713
Base-Backbone interact. energy: -0.864
local terms energy: -65.515584
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -16.029
Dist. restrs. and SS energy: 8.284 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -197.446803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.446803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.446803 (E_RNA)
where:
Base-Base interactions energy: -138.066
where: short stacking energy: -53.358
Base-Backbone interact. energy: -0.734
local terms energy: -58.646969
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -8.909
tors. eta vs tors. theta energy: -13.080
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -163.895150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.895150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.163826 (E_RNA)
where:
Base-Base interactions energy: -119.864
where: short stacking energy: -52.263
Base-Backbone interact. energy: -0.231
local terms energy: -53.068261
where:
bonds (distance) C4'-P energy: -9.117
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -8.531
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -12.522
Dist. restrs. and SS energy: 9.269 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -222.333099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.333099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.407255 (E_RNA)
where:
Base-Base interactions energy: -152.417
where: short stacking energy: -66.867
Base-Backbone interact. energy: -0.003
local terms energy: -69.987578
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -18.633
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -233.559841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.559841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.830801 (E_RNA)
where:
Base-Base interactions energy: -174.838
where: short stacking energy: -71.821
Base-Backbone interact. energy: -0.613
local terms energy: -58.379799
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -3.752
tors. eta vs tors. theta energy: -17.379
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: 98
Temperature: 1.000000
Total energy: -224.567470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.567470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.567470 (E_RNA)
where:
Base-Base interactions energy: -164.583
where: short stacking energy: -61.354
Base-Backbone interact. energy: -0.001
local terms energy: -59.983448
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -12.035
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -2.883
tors. eta vs tors. theta energy: -15.263
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -208.509056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.509056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.595438 (E_RNA)
where:
Base-Base interactions energy: -151.291
where: short stacking energy: -59.668
Base-Backbone interact. energy: 0.648
local terms energy: -57.952061
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -12.379
flat angles P-C4'-P energy: -7.291
tors. eta vs tors. theta energy: -12.944
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -207.956134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.956134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.115161 (E_RNA)
where:
Base-Base interactions energy: -139.422
where: short stacking energy: -55.542
Base-Backbone interact. energy: -0.011
local terms energy: -68.682259
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -16.530
Dist. restrs. and SS energy: 0.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -205.440229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.440229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.440229 (E_RNA)
where:
Base-Base interactions energy: -138.992
where: short stacking energy: -54.127
Base-Backbone interact. energy: -0.007
local terms energy: -66.441031
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -11.856
flat angles C4'-P-C4' energy: -15.378
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -15.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -202.921083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.921083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.931737 (E_RNA)
where:
Base-Base interactions energy: -140.757
where: short stacking energy: -55.662
Base-Backbone interact. energy: -0.024
local terms energy: -62.150835
where:
bonds (distance) C4'-P energy: -6.820
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -16.799
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: 5
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -188.225084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.225084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.625341 (E_RNA)
where:
Base-Base interactions energy: -136.317
where: short stacking energy: -57.250
Base-Backbone interact. energy: -0.610
local terms energy: -59.698279
where:
bonds (distance) C4'-P energy: -10.027
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: -13.351
Dist. restrs. and SS energy: 8.400 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -199.767548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.767548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.078415 (E_RNA)
where:
Base-Base interactions energy: -138.288
where: short stacking energy: -58.052
Base-Backbone interact. energy: 0.491
local terms energy: -62.280990
where:
bonds (distance) C4'-P energy: -6.435
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -18.422
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: 10, replica: 4
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -178.935749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.935749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.015650 (E_RNA)
where:
Base-Base interactions energy: -133.653
where: short stacking energy: -53.023
Base-Backbone interact. energy: -0.066
local terms energy: -53.296839
where:
bonds (distance) C4'-P energy: -6.626
bonds (distance) P-C4' energy: -9.765
flat angles C4'-P-C4' energy: -12.233
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -14.216
Dist. restrs. and SS energy: 8.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -240.180152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.180152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.180152 (E_RNA)
where:
Base-Base interactions energy: -179.538
where: short stacking energy: -70.287
Base-Backbone interact. energy: -0.269
local terms energy: -60.373776
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -6.394
tors. eta vs tors. theta energy: -15.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -227.803082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.803082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.935240 (E_RNA)
where:
Base-Base interactions energy: -164.419
where: short stacking energy: -62.672
Base-Backbone interact. energy: -0.022
local terms energy: -63.493297
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -6.738
tors. eta vs tors. theta energy: -14.881
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: 3, replica: 10
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -229.160468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.160468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.201225 (E_RNA)
where:
Base-Base interactions energy: -168.494
where: short stacking energy: -69.415
Base-Backbone interact. energy: -0.005
local terms energy: -60.701948
where:
bonds (distance) C4'-P energy: -10.119
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -5.398
tors. eta vs tors. theta energy: -19.036
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -214.609323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.609323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.670844 (E_RNA)
where:
Base-Base interactions energy: -148.423
where: short stacking energy: -62.093
Base-Backbone interact. energy: -0.608
local terms energy: -65.639360
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -12.645
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -17.029
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: 99
Temperature: 1.100000
Total energy: -207.932660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.932660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.935653 (E_RNA)
where:
Base-Base interactions energy: -146.274
where: short stacking energy: -60.434
Base-Backbone interact. energy: -0.062
local terms energy: -61.599002
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -10.076
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: -15.851
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -204.602766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.602766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.623313 (E_RNA)
where:
Base-Base interactions energy: -141.432
where: short stacking energy: -55.802
Base-Backbone interact. energy: -0.095
local terms energy: -63.096361
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -8.862
tors. eta vs tors. theta energy: -13.601
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -209.136164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.136164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.262159 (E_RNA)
where:
Base-Base interactions energy: -154.222
where: short stacking energy: -64.414
Base-Backbone interact. energy: -0.006
local terms energy: -55.034201
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -13.137
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -6.994
tors. eta vs tors. theta energy: -12.356
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: 9
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -197.291321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.291321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.299845 (E_RNA)
where:
Base-Base interactions energy: -144.545
where: short stacking energy: -61.197
Base-Backbone interact. energy: -0.651
local terms energy: -52.103084
where:
bonds (distance) C4'-P energy: -7.263
bonds (distance) P-C4' energy: -10.108
flat angles C4'-P-C4' energy: -10.298
flat angles P-C4'-P energy: -7.219
tors. eta vs tors. theta energy: -17.215
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -179.510942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.510942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.974267 (E_RNA)
where:
Base-Base interactions energy: -128.795
where: short stacking energy: -52.398
Base-Backbone interact. energy: 0.572
local terms energy: -58.751116
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -10.157
flat angles P-C4'-P energy: -10.022
tors. eta vs tors. theta energy: -11.730
Dist. restrs. and SS energy: 7.463 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -174.499967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.499967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.024767 (E_RNA)
where:
Base-Base interactions energy: -127.208
where: short stacking energy: -55.716
Base-Backbone interact. energy: -0.027
local terms energy: -54.789731
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -4.824
tors. eta vs tors. theta energy: -12.093
Dist. restrs. and SS energy: 7.525 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -232.537713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.537713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.723992 (E_RNA)
where:
Base-Base interactions energy: -173.096
where: short stacking energy: -69.546
Base-Backbone interact. energy: -0.314
local terms energy: -59.314808
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -14.802
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -231.048494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.048494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.048494 (E_RNA)
where:
Base-Base interactions energy: -170.059
where: short stacking energy: -67.353
Base-Backbone interact. energy: -0.099
local terms energy: -60.890084
where:
bonds (distance) C4'-P energy: -9.726
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -5.068
tors. eta vs tors. theta energy: -17.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -212.295954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.295954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.364506 (E_RNA)
where:
Base-Base interactions energy: -147.629
where: short stacking energy: -61.942
Base-Backbone interact. energy: -0.262
local terms energy: -64.473502
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -14.240
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -231.913827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.913827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.105859 (E_RNA)
where:
Base-Base interactions energy: -168.636
where: short stacking energy: -69.869
Base-Backbone interact. energy: -0.078
local terms energy: -63.392649
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -12.212
flat angles P-C4'-P energy: -4.336
tors. eta vs tors. theta energy: -18.638
Dist. restrs. and SS energy: 0.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -210.973263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.973263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.017954 (E_RNA)
where:
Base-Base interactions energy: -146.413
where: short stacking energy: -60.565
Base-Backbone interact. energy: -0.053
local terms energy: -64.551474
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -10.969
flat angles C4'-P-C4' energy: -9.953
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -17.260
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: 2
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -195.365704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.365704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.409227 (E_RNA)
where:
Base-Base interactions energy: -141.292
where: short stacking energy: -55.712
Base-Backbone interact. energy: -0.079
local terms energy: -54.038533
where:
bonds (distance) C4'-P energy: -8.326
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -11.270
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -13.509
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -191.904444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.904444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.042533 (E_RNA)
where:
Base-Base interactions energy: -135.661
where: short stacking energy: -54.130
Base-Backbone interact. energy: 0.003
local terms energy: -56.384569
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -10.899
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: -15.391
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: 9
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -195.201455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.201455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.263844 (E_RNA)
where:
Base-Base interactions energy: -138.458
where: short stacking energy: -55.406
Base-Backbone interact. energy: -0.021
local terms energy: -56.784584
where:
bonds (distance) C4'-P energy: -10.418
bonds (distance) P-C4' energy: -7.203
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -17.798
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -180.650421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.650421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.362935 (E_RNA)
where:
Base-Base interactions energy: -131.112
where: short stacking energy: -51.774
Base-Backbone interact. energy: -2.037
local terms energy: -55.213816
where:
bonds (distance) C4'-P energy: -9.142
bonds (distance) P-C4' energy: -12.425
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -6.795
tors. eta vs tors. theta energy: -13.488
Dist. restrs. and SS energy: 7.713 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -176.632071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.632071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.896718 (E_RNA)
where:
Base-Base interactions energy: -125.274
where: short stacking energy: -51.396
Base-Backbone interact. energy: -1.367
local terms energy: -58.255735
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -5.173
tors. eta vs tors. theta energy: -11.661
Dist. restrs. and SS energy: 8.265 (S_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: 101
Temperature: 0.900000
Total energy: -236.678563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.678563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.694342 (E_RNA)
where:
Base-Base interactions energy: -170.312
where: short stacking energy: -68.095
Base-Backbone interact. energy: -0.006
local terms energy: -66.376794
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -5.459
tors. eta vs tors. theta energy: -15.877
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: 7
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -229.638231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.638231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.717833 (E_RNA)
where:
Base-Base interactions energy: -164.332
where: short stacking energy: -66.397
Base-Backbone interact. energy: -0.058
local terms energy: -65.327367
where:
bonds (distance) C4'-P energy: -14.760
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -5.919
tors. eta vs tors. theta energy: -16.889
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -218.059589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.059589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.106542 (E_RNA)
where:
Base-Base interactions energy: -149.037
where: short stacking energy: -62.703
Base-Backbone interact. energy: -0.031
local terms energy: -69.038115
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -18.130
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -209.103928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.103928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.121907 (E_RNA)
where:
Base-Base interactions energy: -143.690
where: short stacking energy: -60.661
Base-Backbone interact. energy: -0.011
local terms energy: -65.420905
where:
bonds (distance) C4'-P energy: -10.650
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -16.061
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -224.211400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.211400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.225256 (E_RNA)
where:
Base-Base interactions energy: -168.351
where: short stacking energy: -67.727
Base-Backbone interact. energy: -0.477
local terms energy: -55.397354
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -10.803
flat angles P-C4'-P energy: -4.372
tors. eta vs tors. theta energy: -14.798
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -196.703501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.703501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.797296 (E_RNA)
where:
Base-Base interactions energy: -136.369
where: short stacking energy: -55.842
Base-Backbone interact. energy: -0.044
local terms energy: -60.384868
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -11.741
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -16.324
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -201.243424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.243424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.284245 (E_RNA)
where:
Base-Base interactions energy: -144.211
where: short stacking energy: -55.793
Base-Backbone interact. energy: -0.020
local terms energy: -57.053187
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -9.581
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -12.717
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -179.748821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.748821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.342941 (E_RNA)
where:
Base-Base interactions energy: -131.014
where: short stacking energy: -49.661
Base-Backbone interact. energy: 1.785
local terms energy: -58.113753
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -8.823
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -14.391
Dist. restrs. and SS energy: 7.594 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -191.555854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.555854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.617020 (E_RNA)
where:
Base-Base interactions energy: -136.818
where: short stacking energy: -50.486
Base-Backbone interact. energy: -0.071
local terms energy: -54.728146
where:
bonds (distance) C4'-P energy: -8.257
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -10.140
tors. eta vs tors. theta energy: -11.012
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: 101
Temperature: 1.350000
Total energy: -184.496808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.496808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.720391 (E_RNA)
where:
Base-Base interactions energy: -129.744
where: short stacking energy: -55.707
Base-Backbone interact. energy: -0.003
local terms energy: -61.973230
where:
bonds (distance) C4'-P energy: -8.696
bonds (distance) P-C4' energy: -12.209
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -8.537
tors. eta vs tors. theta energy: -17.540
Dist. restrs. and SS energy: 7.224 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -233.711852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.711852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.720537 (E_RNA)
where:
Base-Base interactions energy: -173.868
where: short stacking energy: -71.613
Base-Backbone interact. energy: -0.566
local terms energy: -59.286625
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -10.875
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -5.285
tors. eta vs tors. theta energy: -17.256
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: 102
Temperature: 0.950000
Total energy: -230.520251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.520251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.582398 (E_RNA)
where:
Base-Base interactions energy: -172.146
where: short stacking energy: -70.101
Base-Backbone interact. energy: -0.021
local terms energy: -58.415647
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -5.710
tors. eta vs tors. theta energy: -14.332
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: 102
Temperature: 1.000000
Total energy: -211.148854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.148854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.165764 (E_RNA)
where:
Base-Base interactions energy: -148.980
where: short stacking energy: -61.173
Base-Backbone interact. energy: -0.664
local terms energy: -61.522312
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -12.548
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -15.440
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: 102
Temperature: 1.050000
Total energy: -211.561535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.561535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.561535 (E_RNA)
where:
Base-Base interactions energy: -159.558
where: short stacking energy: -63.479
Base-Backbone interact. energy: -0.615
local terms energy: -51.388104
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -9.259
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -3.068
tors. eta vs tors. theta energy: -15.143
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -222.803751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.803751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.803983 (E_RNA)
where:
Base-Base interactions energy: -158.111
where: short stacking energy: -64.683
Base-Backbone interact. energy: -0.299
local terms energy: -64.394160
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -11.886
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -6.486
tors. eta vs tors. theta energy: -16.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -204.966885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.966885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.155156 (E_RNA)
where:
Base-Base interactions energy: -140.642
where: short stacking energy: -54.083
Base-Backbone interact. energy: -0.001
local terms energy: -64.512823
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -14.860
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -202.282740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.282740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.353719 (E_RNA)
where:
Base-Base interactions energy: -144.536
where: short stacking energy: -54.835
Base-Backbone interact. energy: -0.000
local terms energy: -57.817384
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -7.966
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -6.687
tors. eta vs tors. theta energy: -15.386
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -182.776566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.776566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.815556 (E_RNA)
where:
Base-Base interactions energy: -133.350
where: short stacking energy: -56.589
Base-Backbone interact. energy: 0.145
local terms energy: -57.609755
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -8.900
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -16.603
Dist. restrs. and SS energy: 8.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -192.740863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.740863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.757310 (E_RNA)
where:
Base-Base interactions energy: -135.886
where: short stacking energy: -54.138
Base-Backbone interact. energy: -0.657
local terms energy: -56.214593
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -9.919
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -12.750
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -178.369270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.369270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.171080 (E_RNA)
where:
Base-Base interactions energy: -131.069
where: short stacking energy: -53.963
Base-Backbone interact. energy: -0.159
local terms energy: -52.943661
where:
bonds (distance) C4'-P energy: -7.910
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -6.507
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -11.465
Dist. restrs. and SS energy: 5.802 (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: 103
Temperature: 0.900000
Total energy: -231.306959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.306959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.406580 (E_RNA)
where:
Base-Base interactions energy: -168.652
where: short stacking energy: -67.175
Base-Backbone interact. energy: -0.214
local terms energy: -62.540553
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -6.102
tors. eta vs tors. theta energy: -15.685
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -237.328468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.328468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.328468 (E_RNA)
where:
Base-Base interactions energy: -170.742
where: short stacking energy: -65.721
Base-Backbone interact. energy: -0.042
local terms energy: -66.544711
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -6.236
tors. eta vs tors. theta energy: -19.695
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -216.139621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.139621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.139621 (E_RNA)
where:
Base-Base interactions energy: -151.414
where: short stacking energy: -62.634
Base-Backbone interact. energy: -0.008
local terms energy: -64.717428
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -8.858
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -18.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -208.582091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.582091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.582091 (E_RNA)
where:
Base-Base interactions energy: -140.988
where: short stacking energy: -58.638
Base-Backbone interact. energy: -0.019
local terms energy: -67.574875
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -14.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -209.638552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.638552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.689699 (E_RNA)
where:
Base-Base interactions energy: -146.631
where: short stacking energy: -59.647
Base-Backbone interact. energy: 0.308
local terms energy: -63.366638
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -11.817
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -13.199
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -212.841419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.841419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.993900 (E_RNA)
where:
Base-Base interactions energy: -156.896
where: short stacking energy: -56.934
Base-Backbone interact. energy: -0.004
local terms energy: -56.093285
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -11.494
flat angles P-C4'-P energy: -2.033
tors. eta vs tors. theta energy: -15.111
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: 7, replica: 2
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -210.467374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.467374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.499363 (E_RNA)
where:
Base-Base interactions energy: -157.884
where: short stacking energy: -61.231
Base-Backbone interact. energy: -0.351
local terms energy: -52.264744
where:
bonds (distance) C4'-P energy: -9.035
bonds (distance) P-C4' energy: -11.205
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -3.453
tors. eta vs tors. theta energy: -15.022
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: 8, replica: 9
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -201.605932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.605932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.608460 (E_RNA)
where:
Base-Base interactions energy: -135.003
where: short stacking energy: -55.535
Base-Backbone interact. energy: -0.002
local terms energy: -66.603327
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -15.230
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: 103
Temperature: 1.300000
Total energy: -173.135730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.135730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.869806 (E_RNA)
where:
Base-Base interactions energy: -124.646
where: short stacking energy: -51.730
Base-Backbone interact. energy: -0.016
local terms energy: -56.207875
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -10.731
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -6.759
tors. eta vs tors. theta energy: -13.995
Dist. restrs. and SS energy: 7.734 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -178.503697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.503697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.564752 (E_RNA)
where:
Base-Base interactions energy: -129.803
where: short stacking energy: -56.840
Base-Backbone interact. energy: -0.010
local terms energy: -59.751217
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -11.309
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -14.934
Dist. restrs. and SS energy: 11.061 (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: 8
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -231.563897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.563897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.706196 (E_RNA)
where:
Base-Base interactions energy: -164.850
where: short stacking energy: -66.877
Base-Backbone interact. energy: -0.014
local terms energy: -66.841627
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -11.232
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -15.975
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: 2, replica: 7
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -231.039748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.039748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.140829 (E_RNA)
where:
Base-Base interactions energy: -168.743
where: short stacking energy: -66.836
Base-Backbone interact. energy: -0.604
local terms energy: -61.793784
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -3.181
tors. eta vs tors. theta energy: -15.383
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -214.906964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.906964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.916047 (E_RNA)
where:
Base-Base interactions energy: -157.629
where: short stacking energy: -62.784
Base-Backbone interact. energy: -0.042
local terms energy: -57.245442
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -10.157
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -14.010
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -212.546472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.546472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.618621 (E_RNA)
where:
Base-Base interactions energy: -149.458
where: short stacking energy: -66.524
Base-Backbone interact. energy: -0.156
local terms energy: -63.004999
where:
bonds (distance) C4'-P energy: -10.526
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -15.734
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -205.472623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.472623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.579460 (E_RNA)
where:
Base-Base interactions energy: -140.284
where: short stacking energy: -57.675
Base-Backbone interact. energy: -0.019
local terms energy: -65.276315
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -11.069
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -13.601
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: 104
Temperature: 1.150000
Total energy: -207.785706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.785706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.145590 (E_RNA)
where:
Base-Base interactions energy: -146.432
where: short stacking energy: -54.677
Base-Backbone interact. energy: -0.373
local terms energy: -61.341076
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -14.516
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: 7, replica: 9
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -199.569781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.569781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.697165 (E_RNA)
where:
Base-Base interactions energy: -140.520
where: short stacking energy: -54.468
Base-Backbone interact. energy: -0.000
local terms energy: -59.176514
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -5.854
tors. eta vs tors. theta energy: -15.803
Dist. restrs. and SS energy: 0.127 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -212.966616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.966616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.127583 (E_RNA)
where:
Base-Base interactions energy: -161.007
where: short stacking energy: -58.851
Base-Backbone interact. energy: -0.047
local terms energy: -52.073498
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -9.282
flat angles C4'-P-C4' energy: -12.597
flat angles P-C4'-P energy: -5.534
tors. eta vs tors. theta energy: -12.159
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: 4
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -174.575718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.575718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.547552 (E_RNA)
where:
Base-Base interactions energy: -120.186
where: short stacking energy: -50.493
Base-Backbone interact. energy: -0.015
local terms energy: -61.346792
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -13.425
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -6.025
tors. eta vs tors. theta energy: -16.054
Dist. restrs. and SS energy: 6.972 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -168.871305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.871305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.898983 (E_RNA)
where:
Base-Base interactions energy: -129.172
where: short stacking energy: -56.454
Base-Backbone interact. energy: -0.060
local terms energy: -47.666805
where:
bonds (distance) C4'-P energy: -4.627
bonds (distance) P-C4' energy: -10.995
flat angles C4'-P-C4' energy: -9.124
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -13.569
Dist. restrs. and SS energy: 8.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -228.073875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.073875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.073875 (E_RNA)
where:
Base-Base interactions energy: -162.100
where: short stacking energy: -69.897
Base-Backbone interact. energy: -0.000
local terms energy: -65.973771
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -5.042
tors. eta vs tors. theta energy: -17.650
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -222.632913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.632913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.642526 (E_RNA)
where:
Base-Base interactions energy: -156.672
where: short stacking energy: -60.415
Base-Backbone interact. energy: -0.000
local terms energy: -65.970174
where:
bonds (distance) C4'-P energy: -12.884
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -7.925
tors. eta vs tors. theta energy: -16.859
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -225.672040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.672040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.704941 (E_RNA)
where:
Base-Base interactions energy: -164.810
where: short stacking energy: -60.745
Base-Backbone interact. energy: -0.490
local terms energy: -60.404600
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -4.686
tors. eta vs tors. theta energy: -13.723
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -209.640625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.640625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.660001 (E_RNA)
where:
Base-Base interactions energy: -147.431
where: short stacking energy: -61.930
Base-Backbone interact. energy: -0.654
local terms energy: -61.574941
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -13.427
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: -16.488
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: 6
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -202.427857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.427857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.550666 (E_RNA)
where:
Base-Base interactions energy: -140.459
where: short stacking energy: -56.388
Base-Backbone interact. energy: -0.097
local terms energy: -61.994300
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -7.361
tors. eta vs tors. theta energy: -14.379
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: 9
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -204.674438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.674438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.848466 (E_RNA)
where:
Base-Base interactions energy: -141.455
where: short stacking energy: -58.350
Base-Backbone interact. energy: -0.002
local terms energy: -63.392039
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -16.252
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: 1
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -204.631394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.631394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.741480 (E_RNA)
where:
Base-Base interactions energy: -145.459
where: short stacking energy: -57.446
Base-Backbone interact. energy: -0.000
local terms energy: -59.281938
where:
bonds (distance) C4'-P energy: -9.689
bonds (distance) P-C4' energy: -10.277
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -11.416
tors. eta vs tors. theta energy: -15.028
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: 105
Temperature: 1.250000
Total energy: -191.014701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.014701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.969062 (E_RNA)
where:
Base-Base interactions energy: -139.545
where: short stacking energy: -55.445
Base-Backbone interact. energy: -0.514
local terms energy: -58.909872
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -10.454
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -15.448
Dist. restrs. and SS energy: 7.954 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -193.701974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.701974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.718040 (E_RNA)
where:
Base-Base interactions energy: -147.839
where: short stacking energy: -56.575
Base-Backbone interact. energy: -0.002
local terms energy: -45.877247
where:
bonds (distance) C4'-P energy: -9.085
bonds (distance) P-C4' energy: -9.049
flat angles C4'-P-C4' energy: -10.416
flat angles P-C4'-P energy: -4.068
tors. eta vs tors. theta energy: -13.260
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -178.063536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.063536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.770781 (E_RNA)
where:
Base-Base interactions energy: -121.181
where: short stacking energy: -49.320
Base-Backbone interact. energy: -0.617
local terms energy: -62.973267
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -8.002
tors. eta vs tors. theta energy: -15.450
Dist. restrs. and SS energy: 6.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -232.526675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.526675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.552004 (E_RNA)
where:
Base-Base interactions energy: -170.592
where: short stacking energy: -68.101
Base-Backbone interact. energy: -0.096
local terms energy: -61.864922
where:
bonds (distance) C4'-P energy: -11.622
bonds (distance) P-C4' energy: -10.942
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -5.185
tors. eta vs tors. theta energy: -20.305
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -224.630331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.630331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.630331 (E_RNA)
where:
Base-Base interactions energy: -163.176
where: short stacking energy: -64.057
Base-Backbone interact. energy: -0.001
local terms energy: -61.453128
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -6.204
tors. eta vs tors. theta energy: -16.462
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -224.834739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.834739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.904324 (E_RNA)
where:
Base-Base interactions energy: -170.639
where: short stacking energy: -69.179
Base-Backbone interact. energy: -0.015
local terms energy: -54.250205
where:
bonds (distance) C4'-P energy: -8.319
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -2.294
tors. eta vs tors. theta energy: -17.784
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: 7
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -222.178018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.178018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.188265 (E_RNA)
where:
Base-Base interactions energy: -167.293
where: short stacking energy: -66.648
Base-Backbone interact. energy: -0.410
local terms energy: -54.485633
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -8.490
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -7.201
tors. eta vs tors. theta energy: -12.982
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -206.460369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.460369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.532215 (E_RNA)
where:
Base-Base interactions energy: -147.088
where: short stacking energy: -63.131
Base-Backbone interact. energy: 0.106
local terms energy: -59.550475
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -8.950
flat angles C4'-P-C4' energy: -11.129
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -16.185
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: 106
Temperature: 1.150000
Total energy: -209.075562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.075562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.178947 (E_RNA)
where:
Base-Base interactions energy: -150.729
where: short stacking energy: -61.992
Base-Backbone interact. energy: -0.049
local terms energy: -58.401275
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -12.101
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: 1
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -202.139184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.139184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.195765 (E_RNA)
where:
Base-Base interactions energy: -138.455
where: short stacking energy: -54.787
Base-Backbone interact. energy: -0.041
local terms energy: -63.699422
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -8.894
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -16.940
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -176.460529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.460529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.770358 (E_RNA)
where:
Base-Base interactions energy: -122.818
where: short stacking energy: -51.478
Base-Backbone interact. energy: -1.484
local terms energy: -59.468873
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -10.491
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -13.273
Dist. restrs. and SS energy: 7.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -179.468230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.468230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.552519 (E_RNA)
where:
Base-Base interactions energy: -135.872
where: short stacking energy: -61.732
Base-Backbone interact. energy: -0.002
local terms energy: -50.678589
where:
bonds (distance) C4'-P energy: -4.695
bonds (distance) P-C4' energy: -11.895
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -6.148
tors. eta vs tors. theta energy: -16.081
Dist. restrs. and SS energy: 7.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -195.781536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.781536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.835572 (E_RNA)
where:
Base-Base interactions energy: -136.963
where: short stacking energy: -50.558
Base-Backbone interact. energy: -0.112
local terms energy: -58.760528
where:
bonds (distance) C4'-P energy: -11.258
bonds (distance) P-C4' energy: -10.628
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -15.525
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -239.164388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.164388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.215959 (E_RNA)
where:
Base-Base interactions energy: -173.736
where: short stacking energy: -69.742
Base-Backbone interact. energy: -0.042
local terms energy: -65.437800
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -5.054
tors. eta vs tors. theta energy: -17.702
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -222.930948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.930948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.930948 (E_RNA)
where:
Base-Base interactions energy: -162.281
where: short stacking energy: -63.412
Base-Backbone interact. energy: -0.001
local terms energy: -60.648796
where:
bonds (distance) C4'-P energy: -11.624
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -4.229
tors. eta vs tors. theta energy: -15.494
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -217.137812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.137812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.164524 (E_RNA)
where:
Base-Base interactions energy: -149.023
where: short stacking energy: -58.978
Base-Backbone interact. energy: -0.022
local terms energy: -68.119433
where:
bonds (distance) C4'-P energy: -11.398
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -14.197
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -17.339
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: 9
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -203.622623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.622623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.637753 (E_RNA)
where:
Base-Base interactions energy: -137.621
where: short stacking energy: -54.711
Base-Backbone interact. energy: -0.002
local terms energy: -66.014702
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -11.135
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -15.063
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -215.338422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.338422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.388057 (E_RNA)
where:
Base-Base interactions energy: -158.698
where: short stacking energy: -61.642
Base-Backbone interact. energy: -0.004
local terms energy: -56.685794
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -11.164
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -9.877
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -203.102183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.102183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.230621 (E_RNA)
where:
Base-Base interactions energy: -146.858
where: short stacking energy: -64.609
Base-Backbone interact. energy: -0.002
local terms energy: -56.370524
where:
bonds (distance) C4'-P energy: -7.076
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -16.971
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: 1
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -198.144659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.144659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.144659 (E_RNA)
where:
Base-Base interactions energy: -141.720
where: short stacking energy: -54.451
Base-Backbone interact. energy: -1.668
local terms energy: -54.756993
where:
bonds (distance) C4'-P energy: -9.872
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -11.421
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -12.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -192.891180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.891180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.389180 (E_RNA)
where:
Base-Base interactions energy: -144.904
where: short stacking energy: -58.805
Base-Backbone interact. energy: -0.041
local terms energy: -55.444567
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -10.775
flat angles C4'-P-C4' energy: -9.353
flat angles P-C4'-P energy: -6.388
tors. eta vs tors. theta energy: -16.184
Dist. restrs. and SS energy: 7.498 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -176.162928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.162928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.624703 (E_RNA)
where:
Base-Base interactions energy: -123.979
where: short stacking energy: -49.551
Base-Backbone interact. energy: -0.304
local terms energy: -58.342186
where:
bonds (distance) C4'-P energy: -8.514
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -14.099
Dist. restrs. and SS energy: 6.462 (S_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: 107
Temperature: 1.350000
Total energy: -197.592765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.592765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.615016 (E_RNA)
where:
Base-Base interactions energy: -146.642
where: short stacking energy: -63.697
Base-Backbone interact. energy: -0.001
local terms energy: -50.971504
where:
bonds (distance) C4'-P energy: -3.516
bonds (distance) P-C4' energy: -11.312
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -7.844
tors. eta vs tors. theta energy: -15.514
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: 108
Temperature: 0.900000
Total energy: -233.763972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.763972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.932235 (E_RNA)
where:
Base-Base interactions energy: -167.009
where: short stacking energy: -70.401
Base-Backbone interact. energy: -0.007
local terms energy: -66.916012
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -17.425
Dist. restrs. and SS energy: 0.168 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -227.263754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.263754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.516332 (E_RNA)
where:
Base-Base interactions energy: -171.003
where: short stacking energy: -65.114
Base-Backbone interact. energy: -0.380
local terms energy: -56.133369
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -10.738
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -4.326
tors. eta vs tors. theta energy: -16.090
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: 3, replica: 9
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -211.883348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.883348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.018385 (E_RNA)
where:
Base-Base interactions energy: -151.567
where: short stacking energy: -61.496
Base-Backbone interact. energy: 0.097
local terms energy: -60.548373
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -14.186
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -6.677
tors. eta vs tors. theta energy: -14.588
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: 3
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -210.164624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.164624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.180608 (E_RNA)
where:
Base-Base interactions energy: -149.945
where: short stacking energy: -62.183
Base-Backbone interact. energy: -0.002
local terms energy: -60.234022
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -9.157
flat angles C4'-P-C4' energy: -11.387
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -17.911
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -213.715913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.715913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.984428 (E_RNA)
where:
Base-Base interactions energy: -156.364
where: short stacking energy: -61.405
Base-Backbone interact. energy: -0.019
local terms energy: -57.601280
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -10.951
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -5.126
tors. eta vs tors. theta energy: -15.667
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: 7
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -220.698118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.698118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.729008 (E_RNA)
where:
Base-Base interactions energy: -163.735
where: short stacking energy: -64.600
Base-Backbone interact. energy: 0.046
local terms energy: -57.040161
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -5.244
tors. eta vs tors. theta energy: -15.177
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -193.989145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.989145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.568470 (E_RNA)
where:
Base-Base interactions energy: -144.100
where: short stacking energy: -61.394
Base-Backbone interact. energy: 1.597
local terms energy: -60.064880
where:
bonds (distance) C4'-P energy: -6.196
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -11.878
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -17.242
Dist. restrs. and SS energy: 8.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -194.353277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.353277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.397643 (E_RNA)
where:
Base-Base interactions energy: -138.683
where: short stacking energy: -54.097
Base-Backbone interact. energy: 1.149
local terms energy: -56.863317
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -9.101
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -14.153
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -192.290488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.290488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.467997 (E_RNA)
where:
Base-Base interactions energy: -132.433
where: short stacking energy: -61.512
Base-Backbone interact. energy: -0.002
local terms energy: -60.032952
where:
bonds (distance) C4'-P energy: -11.698
bonds (distance) P-C4' energy: -10.657
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -16.619
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: 10, replica: 4
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -179.417777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.417777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.723547 (E_RNA)
where:
Base-Base interactions energy: -130.289
where: short stacking energy: -55.261
Base-Backbone interact. energy: -0.298
local terms energy: -56.136980
where:
bonds (distance) C4'-P energy: -10.453
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -13.230
Dist. restrs. and SS energy: 7.306 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -221.544380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.544380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.544380 (E_RNA)
where:
Base-Base interactions energy: -150.221
where: short stacking energy: -64.519
Base-Backbone interact. energy: -0.277
local terms energy: -71.047077
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -12.021
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -18.779
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: 8
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -230.186672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.186672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.242332 (E_RNA)
where:
Base-Base interactions energy: -163.002
where: short stacking energy: -67.229
Base-Backbone interact. energy: -0.056
local terms energy: -67.184950
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -13.205
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -16.599
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: 9
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -219.212107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.212107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.252168 (E_RNA)
where:
Base-Base interactions energy: -155.692
where: short stacking energy: -63.597
Base-Backbone interact. energy: -0.001
local terms energy: -63.558870
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -11.169
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -15.857
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -209.670182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.670182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.671565 (E_RNA)
where:
Base-Base interactions energy: -148.205
where: short stacking energy: -59.894
Base-Backbone interact. energy: -0.000
local terms energy: -61.466334
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -12.568
flat angles C4'-P-C4' energy: -10.987
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -16.677
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: 3
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -214.013301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.013301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.108833 (E_RNA)
where:
Base-Base interactions energy: -149.176
where: short stacking energy: -59.149
Base-Backbone interact. energy: -0.006
local terms energy: -64.926933
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -13.635
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: 7
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -214.399347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.399347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.514508 (E_RNA)
where:
Base-Base interactions energy: -158.183
where: short stacking energy: -56.494
Base-Backbone interact. energy: -0.052
local terms energy: -56.278940
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -11.273
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -5.033
tors. eta vs tors. theta energy: -11.785
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: 5
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -187.559121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.559121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.080715 (E_RNA)
where:
Base-Base interactions energy: -132.487
where: short stacking energy: -59.162
Base-Backbone interact. energy: -0.010
local terms energy: -62.583288
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -14.116
Dist. restrs. and SS energy: 7.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -197.983691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.983691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.983691 (E_RNA)
where:
Base-Base interactions energy: -139.247
where: short stacking energy: -55.535
Base-Backbone interact. energy: -0.364
local terms energy: -58.372529
where:
bonds (distance) C4'-P energy: -8.435
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -11.658
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -16.014
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -193.689798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.689798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.694367 (E_RNA)
where:
Base-Base interactions energy: -143.215
where: short stacking energy: -51.283
Base-Backbone interact. energy: -0.209
local terms energy: -50.270958
where:
bonds (distance) C4'-P energy: -7.843
bonds (distance) P-C4' energy: -10.142
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -3.983
tors. eta vs tors. theta energy: -13.102
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -180.803942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.803942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.291848 (E_RNA)
where:
Base-Base interactions energy: -131.954
where: short stacking energy: -51.201
Base-Backbone interact. energy: -0.024
local terms energy: -57.314006
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -11.499
flat angles C4'-P-C4' energy: -9.408
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -15.454
Dist. restrs. and SS energy: 8.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -232.570827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.570827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.574125 (E_RNA)
where:
Base-Base interactions energy: -170.166
where: short stacking energy: -65.327
Base-Backbone interact. energy: -0.010
local terms energy: -62.397848
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -2.889
tors. eta vs tors. theta energy: -17.031
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -225.095538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.095538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.128551 (E_RNA)
where:
Base-Base interactions energy: -163.631
where: short stacking energy: -68.539
Base-Backbone interact. energy: -0.163
local terms energy: -61.334237
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -11.670
flat angles P-C4'-P energy: -3.128
tors. eta vs tors. theta energy: -20.191
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: 6
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -218.043446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.043446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.095498 (E_RNA)
where:
Base-Base interactions energy: -157.045
where: short stacking energy: -68.778
Base-Backbone interact. energy: -0.000
local terms energy: -61.050367
where:
bonds (distance) C4'-P energy: -8.075
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -14.998
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: 110
Temperature: 1.050000
Total energy: -209.488574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.488574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.664437 (E_RNA)
where:
Base-Base interactions energy: -154.117
where: short stacking energy: -64.304
Base-Backbone interact. energy: -0.001
local terms energy: -55.545624
where:
bonds (distance) C4'-P energy: -10.243
bonds (distance) P-C4' energy: -10.069
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -6.603
tors. eta vs tors. theta energy: -15.543
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: 7
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -229.740209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.740209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.842211 (E_RNA)
where:
Base-Base interactions energy: -165.556
where: short stacking energy: -67.687
Base-Backbone interact. energy: -0.032
local terms energy: -64.254360
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -14.463
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -4.240
tors. eta vs tors. theta energy: -17.572
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: 3
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -210.198895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.198895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.232005 (E_RNA)
where:
Base-Base interactions energy: -155.638
where: short stacking energy: -63.804
Base-Backbone interact. energy: 1.769
local terms energy: -56.363037
where:
bonds (distance) C4'-P energy: -12.211
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -11.487
flat angles P-C4'-P energy: -5.739
tors. eta vs tors. theta energy: -12.580
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: 2
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -204.770688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.770688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.821151 (E_RNA)
where:
Base-Base interactions energy: -142.033
where: short stacking energy: -56.542
Base-Backbone interact. energy: -0.021
local terms energy: -62.766866
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -11.698
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -16.071
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: 5
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -188.673387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.673387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.907386 (E_RNA)
where:
Base-Base interactions energy: -142.667
where: short stacking energy: -63.182
Base-Backbone interact. energy: 0.038
local terms energy: -54.278176
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -8.023
flat angles C4'-P-C4' energy: -10.099
flat angles P-C4'-P energy: -5.804
tors. eta vs tors. theta energy: -16.232
Dist. restrs. and SS energy: 8.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -174.898518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.898518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.403175 (E_RNA)
where:
Base-Base interactions energy: -125.297
where: short stacking energy: -48.788
Base-Backbone interact. energy: -0.312
local terms energy: -56.793965
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -6.653
tors. eta vs tors. theta energy: -8.079
Dist. restrs. and SS energy: 7.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -187.848339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.848339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.999952 (E_RNA)
where:
Base-Base interactions energy: -127.852
where: short stacking energy: -52.180
Base-Backbone interact. energy: -0.105
local terms energy: -60.042817
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -11.208
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -11.437
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: 111
Temperature: 0.900000
Total energy: -232.775302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.775302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.883707 (E_RNA)
where:
Base-Base interactions energy: -174.826
where: short stacking energy: -70.577
Base-Backbone interact. energy: -0.012
local terms energy: -58.046250
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -1.862
tors. eta vs tors. theta energy: -18.638
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: 6
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -219.542007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.542007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.648346 (E_RNA)
where:
Base-Base interactions energy: -157.642
where: short stacking energy: -66.647
Base-Backbone interact. energy: -0.000
local terms energy: -62.006341
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -11.596
flat angles C4'-P-C4' energy: -11.607
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -15.643
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -215.073542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.073542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.192235 (E_RNA)
where:
Base-Base interactions energy: -157.514
where: short stacking energy: -64.677
Base-Backbone interact. energy: -0.280
local terms energy: -57.398667
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -3.697
tors. eta vs tors. theta energy: -18.230
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -229.599565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.599565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.599565 (E_RNA)
where:
Base-Base interactions energy: -173.506
where: short stacking energy: -69.030
Base-Backbone interact. energy: -0.324
local terms energy: -55.769812
where:
bonds (distance) C4'-P energy: -10.044
bonds (distance) P-C4' energy: -10.255
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -13.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -206.442447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.442447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.479316 (E_RNA)
where:
Base-Base interactions energy: -147.738
where: short stacking energy: -59.670
Base-Backbone interact. energy: -0.318
local terms energy: -58.422593
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -10.983
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -14.353
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -202.111719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.111719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.144211 (E_RNA)
where:
Base-Base interactions energy: -143.320
where: short stacking energy: -56.305
Base-Backbone interact. energy: -0.382
local terms energy: -58.441897
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -7.926
tors. eta vs tors. theta energy: -13.426
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: 3
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -203.062707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.062707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.070961 (E_RNA)
where:
Base-Base interactions energy: -138.920
where: short stacking energy: -58.953
Base-Backbone interact. energy: -0.000
local terms energy: -64.150447
where:
bonds (distance) C4'-P energy: -11.344
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: -17.968
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: 5
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -179.405039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.405039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.330748 (E_RNA)
where:
Base-Base interactions energy: -125.359
where: short stacking energy: -49.118
Base-Backbone interact. energy: -0.034
local terms energy: -59.937604
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -15.799
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -11.430
Dist. restrs. and SS energy: 5.926 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -181.098783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.098783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.883395 (E_RNA)
where:
Base-Base interactions energy: -131.163
where: short stacking energy: -57.390
Base-Backbone interact. energy: -0.160
local terms energy: -57.561340
where:
bonds (distance) C4'-P energy: -7.345
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -11.445
flat angles P-C4'-P energy: -7.808
tors. eta vs tors. theta energy: -16.265
Dist. restrs. and SS energy: 7.785 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -189.617694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.617694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.916395 (E_RNA)
where:
Base-Base interactions energy: -131.940
where: short stacking energy: -50.277
Base-Backbone interact. energy: -0.240
local terms energy: -57.735706
where:
bonds (distance) C4'-P energy: -7.702
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -13.330
Dist. restrs. and SS energy: 0.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -218.327793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.327793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.376679 (E_RNA)
where:
Base-Base interactions energy: -159.177
where: short stacking energy: -59.815
Base-Backbone interact. energy: -0.420
local terms energy: -58.779666
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -11.648
flat angles C4'-P-C4' energy: -11.398
flat angles P-C4'-P energy: -7.384
tors. eta vs tors. theta energy: -15.907
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: 8
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -230.688100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.688100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.735589 (E_RNA)
where:
Base-Base interactions energy: -169.164
where: short stacking energy: -66.889
Base-Backbone interact. energy: -0.001
local terms energy: -61.570975
where:
bonds (distance) C4'-P energy: -12.769
bonds (distance) P-C4' energy: -11.562
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -4.600
tors. eta vs tors. theta energy: -18.139
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: 7
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -225.121977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.121977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.121977 (E_RNA)
where:
Base-Base interactions energy: -161.450
where: short stacking energy: -64.289
Base-Backbone interact. energy: 0.193
local terms energy: -63.864680
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -10.044
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -14.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -219.597003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.597003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.597003 (E_RNA)
where:
Base-Base interactions energy: -157.890
where: short stacking energy: -68.979
Base-Backbone interact. energy: -0.001
local terms energy: -61.705546
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -11.942
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -15.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -205.862876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.862876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.981205 (E_RNA)
where:
Base-Base interactions energy: -139.343
where: short stacking energy: -52.978
Base-Backbone interact. energy: -0.374
local terms energy: -66.264265
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -7.761
tors. eta vs tors. theta energy: -18.386
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: 9
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -210.197944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.197944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.268864 (E_RNA)
where:
Base-Base interactions energy: -143.884
where: short stacking energy: -57.763
Base-Backbone interact. energy: -0.058
local terms energy: -66.326564
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -15.696
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -180.734560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.734560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.177890 (E_RNA)
where:
Base-Base interactions energy: -121.648
where: short stacking energy: -52.999
Base-Backbone interact. energy: -0.049
local terms energy: -67.481105
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -15.153
Dist. restrs. and SS energy: 8.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -193.317124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.317124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.502309 (E_RNA)
where:
Base-Base interactions energy: -138.062
where: short stacking energy: -56.824
Base-Backbone interact. energy: -0.463
local terms energy: -54.976621
where:
bonds (distance) C4'-P energy: -8.142
bonds (distance) P-C4' energy: -11.665
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -5.431
tors. eta vs tors. theta energy: -16.899
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: 1
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -190.035937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.035937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.322804 (E_RNA)
where:
Base-Base interactions energy: -122.683
where: short stacking energy: -50.177
Base-Backbone interact. energy: -0.431
local terms energy: -67.208411
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -16.651
Dist. restrs. and SS energy: 0.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -172.703797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.703797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.175629 (E_RNA)
where:
Base-Base interactions energy: -135.756
where: short stacking energy: -55.684
Base-Backbone interact. energy: -0.610
local terms energy: -44.809914
where:
bonds (distance) C4'-P energy: -7.771
bonds (distance) P-C4' energy: -7.354
flat angles C4'-P-C4' energy: -10.275
flat angles P-C4'-P energy: -3.507
tors. eta vs tors. theta energy: -15.903
Dist. restrs. and SS energy: 8.472 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -221.318504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.318504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.450260 (E_RNA)
where:
Base-Base interactions energy: -159.214
where: short stacking energy: -63.360
Base-Backbone interact. energy: 1.292
local terms energy: -63.528372
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -13.280
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -216.247038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.247038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.254387 (E_RNA)
where:
Base-Base interactions energy: -148.312
where: short stacking energy: -63.680
Base-Backbone interact. energy: -0.587
local terms energy: -67.355546
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -15.946
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: 8
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -214.033956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.033956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.067208 (E_RNA)
where:
Base-Base interactions energy: -162.863
where: short stacking energy: -64.236
Base-Backbone interact. energy: -0.297
local terms energy: -50.907244
where:
bonds (distance) C4'-P energy: -9.305
bonds (distance) P-C4' energy: -12.164
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -5.315
tors. eta vs tors. theta energy: -11.886
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -214.262831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.262831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.262831 (E_RNA)
where:
Base-Base interactions energy: -146.733
where: short stacking energy: -59.916
Base-Backbone interact. energy: -0.097
local terms energy: -67.432707
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -14.443
flat angles P-C4'-P energy: -6.087
tors. eta vs tors. theta energy: -19.554
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -208.963526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.963526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.032602 (E_RNA)
where:
Base-Base interactions energy: -142.716
where: short stacking energy: -58.429
Base-Backbone interact. energy: -0.003
local terms energy: -66.314188
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -17.920
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: 6, replica: 5
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -194.291870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.291870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.410376 (E_RNA)
where:
Base-Base interactions energy: -146.360
where: short stacking energy: -67.200
Base-Backbone interact. energy: -0.673
local terms energy: -55.377582
where:
bonds (distance) C4'-P energy: -8.025
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -11.757
Dist. restrs. and SS energy: 8.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -216.273158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.273158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.305781 (E_RNA)
where:
Base-Base interactions energy: -152.740
where: short stacking energy: -61.527
Base-Backbone interact. energy: -0.107
local terms energy: -63.459577
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -16.316
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: 1
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -191.239701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.239701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.279492 (E_RNA)
where:
Base-Base interactions energy: -129.646
where: short stacking energy: -47.854
Base-Backbone interact. energy: -0.126
local terms energy: -61.507135
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -10.476
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -15.931
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: 3
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -197.660885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.660885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.675272 (E_RNA)
where:
Base-Base interactions energy: -136.429
where: short stacking energy: -50.518
Base-Backbone interact. energy: -0.097
local terms energy: -61.149223
where:
bonds (distance) C4'-P energy: -9.413
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -15.664
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: 113
Temperature: 1.350000
Total energy: -178.810058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.810058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.376641 (E_RNA)
where:
Base-Base interactions energy: -129.606
where: short stacking energy: -56.919
Base-Backbone interact. energy: -0.001
local terms energy: -56.769556
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -10.910
flat angles P-C4'-P energy: -5.801
tors. eta vs tors. theta energy: -14.982
Dist. restrs. and SS energy: 7.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -217.763212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.763212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.820059 (E_RNA)
where:
Base-Base interactions energy: -152.960
where: short stacking energy: -61.549
Base-Backbone interact. energy: -0.053
local terms energy: -64.806975
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -10.170
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -15.575
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -224.351759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.351759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.482032 (E_RNA)
where:
Base-Base interactions energy: -161.623
where: short stacking energy: -65.033
Base-Backbone interact. energy: -0.006
local terms energy: -62.853137
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -6.626
tors. eta vs tors. theta energy: -17.457
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: 2
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -217.313828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.313828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.313828 (E_RNA)
where:
Base-Base interactions energy: -152.574
where: short stacking energy: -60.499
Base-Backbone interact. energy: -0.045
local terms energy: -64.694371
where:
bonds (distance) C4'-P energy: -11.049
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -6.844
tors. eta vs tors. theta energy: -16.611
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -211.759996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.759996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.796975 (E_RNA)
where:
Base-Base interactions energy: -147.542
where: short stacking energy: -60.267
Base-Backbone interact. energy: -0.000
local terms energy: -64.254398
where:
bonds (distance) C4'-P energy: -10.703
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -16.360
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -209.538220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.538220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.727369 (E_RNA)
where:
Base-Base interactions energy: -146.524
where: short stacking energy: -62.429
Base-Backbone interact. energy: 0.843
local terms energy: -64.046623
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -10.228
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -16.207
Dist. restrs. and SS energy: 0.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -191.191833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.191833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.454320 (E_RNA)
where:
Base-Base interactions energy: -137.329
where: short stacking energy: -55.323
Base-Backbone interact. energy: -0.004
local terms energy: -60.121326
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -14.070
flat angles C4'-P-C4' energy: -11.033
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -16.643
Dist. restrs. and SS energy: 6.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -204.751760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.751760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.780792 (E_RNA)
where:
Base-Base interactions energy: -142.895
where: short stacking energy: -58.803
Base-Backbone interact. energy: -0.034
local terms energy: -61.851044
where:
bonds (distance) C4'-P energy: -8.500
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -11.726
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -17.427
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: 9
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -207.376546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.376546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.413668 (E_RNA)
where:
Base-Base interactions energy: -156.322
where: short stacking energy: -61.891
Base-Backbone interact. energy: -0.539
local terms energy: -50.552135
where:
bonds (distance) C4'-P energy: -9.273
bonds (distance) P-C4' energy: -11.038
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -3.150
tors. eta vs tors. theta energy: -13.365
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -196.378247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.378247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.454456 (E_RNA)
where:
Base-Base interactions energy: -139.608
where: short stacking energy: -53.935
Base-Backbone interact. energy: 0.998
local terms energy: -57.845171
where:
bonds (distance) C4'-P energy: -10.338
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -12.634
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -10.825
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -178.741362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.741362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.456372 (E_RNA)
where:
Base-Base interactions energy: -124.183
where: short stacking energy: -49.206
Base-Backbone interact. energy: -0.022
local terms energy: -62.251069
where:
bonds (distance) C4'-P energy: -6.231
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -16.038
Dist. restrs. and SS energy: 7.715 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -226.456910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.456910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.475579 (E_RNA)
where:
Base-Base interactions energy: -154.236
where: short stacking energy: -67.172
Base-Backbone interact. energy: -0.001
local terms energy: -72.238617
where:
bonds (distance) C4'-P energy: -11.554
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: -19.099
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: 6
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -210.680016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.680016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.712562 (E_RNA)
where:
Base-Base interactions energy: -146.141
where: short stacking energy: -63.126
Base-Backbone interact. energy: -0.354
local terms energy: -64.217477
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -17.988
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: 2
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -230.317224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.317224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.353107 (E_RNA)
where:
Base-Base interactions energy: -166.932
where: short stacking energy: -64.447
Base-Backbone interact. energy: -0.252
local terms energy: -63.168890
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -5.014
tors. eta vs tors. theta energy: -16.992
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -213.054667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.054667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.186233 (E_RNA)
where:
Base-Base interactions energy: -145.501
where: short stacking energy: -62.714
Base-Backbone interact. energy: 0.129
local terms energy: -67.814886
where:
bonds (distance) C4'-P energy: -6.630
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -19.721
Dist. restrs. and SS energy: 0.132 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -211.977177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.977177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.977177 (E_RNA)
where:
Base-Base interactions energy: -150.428
where: short stacking energy: -58.994
Base-Backbone interact. energy: 0.225
local terms energy: -61.774033
where:
bonds (distance) C4'-P energy: -8.899
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -14.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -203.658822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.658822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.665029 (E_RNA)
where:
Base-Base interactions energy: -140.923
where: short stacking energy: -58.193
Base-Backbone interact. energy: -0.569
local terms energy: -62.173032
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -14.751
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -10.905
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: 5
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -197.296147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.296147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.450726 (E_RNA)
where:
Base-Base interactions energy: -148.840
where: short stacking energy: -59.939
Base-Backbone interact. energy: -0.000
local terms energy: -55.610430
where:
bonds (distance) C4'-P energy: -7.710
bonds (distance) P-C4' energy: -9.393
flat angles C4'-P-C4' energy: -11.396
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -17.954
Dist. restrs. and SS energy: 7.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -200.544102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.544102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.556021 (E_RNA)
where:
Base-Base interactions energy: -140.258
where: short stacking energy: -55.343
Base-Backbone interact. energy: -0.004
local terms energy: -60.294413
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -9.969
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -16.785
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: 9
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -195.018007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.018007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.049393 (E_RNA)
where:
Base-Base interactions energy: -134.185
where: short stacking energy: -44.042
Base-Backbone interact. energy: -0.001
local terms energy: -60.863229
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -9.838
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -170.986218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.986218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.141946 (E_RNA)
where:
Base-Base interactions energy: -121.305
where: short stacking energy: -54.913
Base-Backbone interact. energy: 0.069
local terms energy: -56.906133
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -10.951
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: -12.802
Dist. restrs. and SS energy: 7.156 (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: 6
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -226.001067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.001067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.073784 (E_RNA)
where:
Base-Base interactions energy: -162.572
where: short stacking energy: -61.782
Base-Backbone interact. energy: -0.361
local terms energy: -63.140220
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -5.920
tors. eta vs tors. theta energy: -16.821
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: 7
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -215.245172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.245172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.245172 (E_RNA)
where:
Base-Base interactions energy: -152.948
where: short stacking energy: -62.172
Base-Backbone interact. energy: -0.000
local terms energy: -62.296637
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -12.641
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -14.279
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: 3, replica: 2
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -235.909694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.909694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.015262 (E_RNA)
where:
Base-Base interactions energy: -169.089
where: short stacking energy: -65.861
Base-Backbone interact. energy: -0.022
local terms energy: -66.905142
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -7.403
tors. eta vs tors. theta energy: -15.780
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: 8
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -221.888357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.888357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.953897 (E_RNA)
where:
Base-Base interactions energy: -160.496
where: short stacking energy: -65.054
Base-Backbone interact. energy: -0.001
local terms energy: -61.457519
where:
bonds (distance) C4'-P energy: -9.399
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -4.803
tors. eta vs tors. theta energy: -18.329
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: 1
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -209.792371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.792371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.889674 (E_RNA)
where:
Base-Base interactions energy: -151.735
where: short stacking energy: -65.975
Base-Backbone interact. energy: -0.494
local terms energy: -57.660760
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -11.141
flat angles C4'-P-C4' energy: -10.585
flat angles P-C4'-P energy: -7.241
tors. eta vs tors. theta energy: -15.320
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: 10
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -198.842282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.842282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.953602 (E_RNA)
where:
Base-Base interactions energy: -141.171
where: short stacking energy: -58.884
Base-Backbone interact. energy: -0.205
local terms energy: -57.577084
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -12.342
flat angles C4'-P-C4' energy: -11.988
flat angles P-C4'-P energy: -7.102
tors. eta vs tors. theta energy: -14.904
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -202.394778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.394778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.448843 (E_RNA)
where:
Base-Base interactions energy: -141.390
where: short stacking energy: -57.843
Base-Backbone interact. energy: -0.299
local terms energy: -60.760296
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -11.427
flat angles C4'-P-C4' energy: -12.402
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -15.680
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -186.265163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.265163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.039070 (E_RNA)
where:
Base-Base interactions energy: -141.544
where: short stacking energy: -66.851
Base-Backbone interact. energy: -0.013
local terms energy: -51.482449
where:
bonds (distance) C4'-P energy: -9.189
bonds (distance) P-C4' energy: -10.289
flat angles C4'-P-C4' energy: -8.053
flat angles P-C4'-P energy: -6.689
tors. eta vs tors. theta energy: -17.263
Dist. restrs. and SS energy: 6.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -194.760408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.760408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.470982 (E_RNA)
where:
Base-Base interactions energy: -141.876
where: short stacking energy: -59.690
Base-Backbone interact. energy: -0.350
local terms energy: -60.244691
where:
bonds (distance) C4'-P energy: -9.250
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -17.855
Dist. restrs. and SS energy: 7.711 (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: 9
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -196.927824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.927824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.009404 (E_RNA)
where:
Base-Base interactions energy: -135.966
where: short stacking energy: -50.764
Base-Backbone interact. energy: -0.077
local terms energy: -60.966232
where:
bonds (distance) C4'-P energy: -10.794
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -10.563
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -13.277
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: 6
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -233.134338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.134338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.134338 (E_RNA)
where:
Base-Base interactions energy: -168.439
where: short stacking energy: -64.627
Base-Backbone interact. energy: -0.028
local terms energy: -64.667710
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -13.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -238.386738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.386738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.527291 (E_RNA)
where:
Base-Base interactions energy: -169.886
where: short stacking energy: -68.466
Base-Backbone interact. energy: -0.002
local terms energy: -68.639518
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -17.033
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -212.162845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.162845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.358668 (E_RNA)
where:
Base-Base interactions energy: -149.528
where: short stacking energy: -61.517
Base-Backbone interact. energy: -0.000
local terms energy: -62.829900
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -13.000
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -15.382
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: 4, replica: 1
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -210.616360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.616360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.872416 (E_RNA)
where:
Base-Base interactions energy: -147.917
where: short stacking energy: -66.148
Base-Backbone interact. energy: -0.002
local terms energy: -62.953188
where:
bonds (distance) C4'-P energy: -10.419
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -6.311
tors. eta vs tors. theta energy: -18.640
Dist. restrs. and SS energy: 0.256 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -209.716231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.716231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.744841 (E_RNA)
where:
Base-Base interactions energy: -158.008
where: short stacking energy: -57.431
Base-Backbone interact. energy: -0.683
local terms energy: -51.053522
where:
bonds (distance) C4'-P energy: -9.946
bonds (distance) P-C4' energy: -8.330
flat angles C4'-P-C4' energy: -9.866
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -15.232
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: 3
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -212.205102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.205102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.216965 (E_RNA)
where:
Base-Base interactions energy: -151.329
where: short stacking energy: -57.165
Base-Backbone interact. energy: -0.093
local terms energy: -60.795319
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -12.001
flat angles P-C4'-P energy: -6.922
tors. eta vs tors. theta energy: -14.852
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: 117
Temperature: 1.200000
Total energy: -204.883211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.883211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.941677 (E_RNA)
where:
Base-Base interactions energy: -139.429
where: short stacking energy: -57.542
Base-Backbone interact. energy: -0.575
local terms energy: -64.937885
where:
bonds (distance) C4'-P energy: -15.277
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -6.896
tors. eta vs tors. theta energy: -15.512
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: 4
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -174.890463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.890463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.412099 (E_RNA)
where:
Base-Base interactions energy: -129.550
where: short stacking energy: -52.851
Base-Backbone interact. energy: -0.541
local terms energy: -52.321955
where:
bonds (distance) C4'-P energy: -8.525
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -6.086
tors. eta vs tors. theta energy: -11.506
Dist. restrs. and SS energy: 7.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -176.600359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.600359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.665772 (E_RNA)
where:
Base-Base interactions energy: -128.250
where: short stacking energy: -55.647
Base-Backbone interact. energy: -0.020
local terms energy: -55.395475
where:
bonds (distance) C4'-P energy: -10.910
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -6.284
tors. eta vs tors. theta energy: -10.588
Dist. restrs. and SS energy: 7.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -199.206476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.206476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.245328 (E_RNA)
where:
Base-Base interactions energy: -145.889
where: short stacking energy: -56.576
Base-Backbone interact. energy: -0.830
local terms energy: -52.527068
where:
bonds (distance) C4'-P energy: -8.948
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -10.157
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -14.044
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: 2
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -242.262473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.262473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.312901 (E_RNA)
where:
Base-Base interactions energy: -179.282
where: short stacking energy: -74.729
Base-Backbone interact. energy: -0.169
local terms energy: -62.861736
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -4.691
tors. eta vs tors. theta energy: -15.583
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -218.549400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.549400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.585409 (E_RNA)
where:
Base-Base interactions energy: -157.194
where: short stacking energy: -60.733
Base-Backbone interact. energy: -0.351
local terms energy: -61.040659
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -11.745
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -14.954
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -212.356541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.356541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.376536 (E_RNA)
where:
Base-Base interactions energy: -154.069
where: short stacking energy: -59.757
Base-Backbone interact. energy: -0.018
local terms energy: -58.289526
where:
bonds (distance) C4'-P energy: -9.122
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -13.899
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -220.738842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.738842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.793835 (E_RNA)
where:
Base-Base interactions energy: -153.858
where: short stacking energy: -65.476
Base-Backbone interact. energy: -0.001
local terms energy: -66.934775
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -15.890
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -211.480705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.480705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.493921 (E_RNA)
where:
Base-Base interactions energy: -150.433
where: short stacking energy: -56.636
Base-Backbone interact. energy: -0.040
local terms energy: -61.021716
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -5.650
tors. eta vs tors. theta energy: -16.637
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: 8
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -208.059854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.059854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.106219 (E_RNA)
where:
Base-Base interactions energy: -154.368
where: short stacking energy: -57.363
Base-Backbone interact. energy: -0.016
local terms energy: -53.721551
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -9.987
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -5.783
tors. eta vs tors. theta energy: -11.652
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: 118
Temperature: 1.200000
Total energy: -190.069624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.069624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.885162 (E_RNA)
where:
Base-Base interactions energy: -136.351
where: short stacking energy: -57.409
Base-Backbone interact. energy: -0.269
local terms energy: -60.264775
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -10.645
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -7.761
tors. eta vs tors. theta energy: -15.172
Dist. restrs. and SS energy: 6.816 (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: 10
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -198.884146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.884146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.120490 (E_RNA)
where:
Base-Base interactions energy: -135.758
where: short stacking energy: -54.371
Base-Backbone interact. energy: -0.111
local terms energy: -63.250596
where:
bonds (distance) C4'-P energy: -10.427
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -16.211
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: 9
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -210.386247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.386247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.496006 (E_RNA)
where:
Base-Base interactions energy: -154.884
where: short stacking energy: -60.020
Base-Backbone interact. energy: -0.077
local terms energy: -55.534542
where:
bonds (distance) C4'-P energy: -9.515
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -3.732
tors. eta vs tors. theta energy: -13.907
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: 5
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -180.990274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.990274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.448231 (E_RNA)
where:
Base-Base interactions energy: -131.926
where: short stacking energy: -57.083
Base-Backbone interact. energy: -0.959
local terms energy: -55.563335
where:
bonds (distance) C4'-P energy: -6.917
bonds (distance) P-C4' energy: -11.120
flat angles C4'-P-C4' energy: -11.447
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -17.509
Dist. restrs. and SS energy: 7.458 (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: 2
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -244.863393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.863393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.863393 (E_RNA)
where:
Base-Base interactions energy: -178.671
where: short stacking energy: -72.519
Base-Backbone interact. energy: -0.007
local terms energy: -66.185476
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -5.990
tors. eta vs tors. theta energy: -17.725
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -221.143012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.143012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.148796 (E_RNA)
where:
Base-Base interactions energy: -155.951
where: short stacking energy: -67.081
Base-Backbone interact. energy: -0.125
local terms energy: -65.072743
where:
bonds (distance) C4'-P energy: -9.752
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -18.639
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -214.958456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.958456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.958456 (E_RNA)
where:
Base-Base interactions energy: -155.849
where: short stacking energy: -64.528
Base-Backbone interact. energy: -0.001
local terms energy: -59.108294
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -10.395
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -4.594
tors. eta vs tors. theta energy: -16.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -222.813511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.813511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.847430 (E_RNA)
where:
Base-Base interactions energy: -166.100
where: short stacking energy: -67.289
Base-Backbone interact. energy: -0.003
local terms energy: -56.744243
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -9.597
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -4.126
tors. eta vs tors. theta energy: -15.258
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -216.382216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.382216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.390745 (E_RNA)
where:
Base-Base interactions energy: -150.259
where: short stacking energy: -63.844
Base-Backbone interact. energy: -0.088
local terms energy: -66.043684
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -10.913
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -11.099
tors. eta vs tors. theta energy: -17.298
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -194.349703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.349703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.785710 (E_RNA)
where:
Base-Base interactions energy: -139.227
where: short stacking energy: -62.413
Base-Backbone interact. energy: -0.408
local terms energy: -63.151213
where:
bonds (distance) C4'-P energy: -10.611
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -17.289
Dist. restrs. and SS energy: 8.436 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -203.165014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.165014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.284603 (E_RNA)
where:
Base-Base interactions energy: -143.277
where: short stacking energy: -56.652
Base-Backbone interact. energy: 0.174
local terms energy: -60.181792
where:
bonds (distance) C4'-P energy: -9.305
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -12.527
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -12.952
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: 8, replica: 9
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -198.199241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.199241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.437887 (E_RNA)
where:
Base-Base interactions energy: -136.844
where: short stacking energy: -59.357
Base-Backbone interact. energy: -0.054
local terms energy: -61.539434
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -5.565
tors. eta vs tors. theta energy: -14.569
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: 10
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -204.762114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.762114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.762114 (E_RNA)
where:
Base-Base interactions energy: -159.409
where: short stacking energy: -59.955
Base-Backbone interact. energy: -0.020
local terms energy: -45.332628
where:
bonds (distance) C4'-P energy: -5.752
bonds (distance) P-C4' energy: -12.135
flat angles C4'-P-C4' energy: -11.947
flat angles P-C4'-P energy: -0.233
tors. eta vs tors. theta energy: -15.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -173.280537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.280537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.729369 (E_RNA)
where:
Base-Base interactions energy: -127.070
where: short stacking energy: -52.787
Base-Backbone interact. energy: -0.006
local terms energy: -54.653226
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -11.379
flat angles P-C4'-P energy: -6.855
tors. eta vs tors. theta energy: -12.826
Dist. restrs. and SS energy: 8.449 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -238.704651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.704651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.769642 (E_RNA)
where:
Base-Base interactions energy: -172.554
where: short stacking energy: -65.633
Base-Backbone interact. energy: -0.014
local terms energy: -66.202089
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -4.297
tors. eta vs tors. theta energy: -19.548
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -222.828035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.828035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.916912 (E_RNA)
where:
Base-Base interactions energy: -160.835
where: short stacking energy: -63.738
Base-Backbone interact. energy: -0.045
local terms energy: -62.036353
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -4.752
tors. eta vs tors. theta energy: -15.383
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -222.224959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.224959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.259123 (E_RNA)
where:
Base-Base interactions energy: -158.215
where: short stacking energy: -62.261
Base-Backbone interact. energy: -0.004
local terms energy: -64.040721
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -6.102
tors. eta vs tors. theta energy: -18.382
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -218.574717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.574717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.614245 (E_RNA)
where:
Base-Base interactions energy: -160.121
where: short stacking energy: -63.610
Base-Backbone interact. energy: -0.927
local terms energy: -57.565596
where:
bonds (distance) C4'-P energy: -10.725
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -10.572
flat angles P-C4'-P energy: -5.616
tors. eta vs tors. theta energy: -17.204
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: 7
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -212.026333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.026333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.057252 (E_RNA)
where:
Base-Base interactions energy: -147.324
where: short stacking energy: -58.577
Base-Backbone interact. energy: -0.498
local terms energy: -64.234879
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -11.008
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -16.647
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: 120
Temperature: 1.150000
Total energy: -197.139414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.139414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.406764 (E_RNA)
where:
Base-Base interactions energy: -142.214
where: short stacking energy: -64.829
Base-Backbone interact. energy: -1.429
local terms energy: -61.763716
where:
bonds (distance) C4'-P energy: -11.282
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -12.553
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -14.345
Dist. restrs. and SS energy: 8.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -209.449494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.449494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.456419 (E_RNA)
where:
Base-Base interactions energy: -147.364
where: short stacking energy: -58.430
Base-Backbone interact. energy: -0.418
local terms energy: -61.674943
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -12.738
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -6.234
tors. eta vs tors. theta energy: -13.613
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -195.065898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.065898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.177963 (E_RNA)
where:
Base-Base interactions energy: -143.902
where: short stacking energy: -57.651
Base-Backbone interact. energy: -0.002
local terms energy: -51.274332
where:
bonds (distance) C4'-P energy: -8.428
bonds (distance) P-C4' energy: -11.023
flat angles C4'-P-C4' energy: -10.791
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -12.881
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -195.528798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.528798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.545468 (E_RNA)
where:
Base-Base interactions energy: -141.141
where: short stacking energy: -50.752
Base-Backbone interact. energy: -0.034
local terms energy: -54.370948
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -5.293
tors. eta vs tors. theta energy: -9.630
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -181.012266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.012266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.965319 (E_RNA)
where:
Base-Base interactions energy: -131.829
where: short stacking energy: -60.014
Base-Backbone interact. energy: 0.447
local terms energy: -56.583649
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -8.656
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -15.520
Dist. restrs. and SS energy: 6.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -236.929213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.929213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.942506 (E_RNA)
where:
Base-Base interactions energy: -175.053
where: short stacking energy: -68.650
Base-Backbone interact. energy: -0.014
local terms energy: -61.875722
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -3.641
tors. eta vs tors. theta energy: -17.339
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -223.553447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.553447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.575410 (E_RNA)
where:
Base-Base interactions energy: -152.033
where: short stacking energy: -65.702
Base-Backbone interact. energy: -0.000
local terms energy: -71.541885
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -18.722
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -210.953988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.953988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.953988 (E_RNA)
where:
Base-Base interactions energy: -149.064
where: short stacking energy: -63.055
Base-Backbone interact. energy: -0.039
local terms energy: -61.851642
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -11.932
flat angles C4'-P-C4' energy: -10.915
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -14.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -209.528511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.528511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.683306 (E_RNA)
where:
Base-Base interactions energy: -143.500
where: short stacking energy: -62.492
Base-Backbone interact. energy: -0.161
local terms energy: -66.022144
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -9.499
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -20.055
Dist. restrs. and SS energy: 0.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -209.338634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.338634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.398219 (E_RNA)
where:
Base-Base interactions energy: -145.957
where: short stacking energy: -59.059
Base-Backbone interact. energy: -0.003
local terms energy: -63.437987
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -12.018
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -10.644
tors. eta vs tors. theta energy: -14.759
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: 121
Temperature: 1.150000
Total energy: -195.592626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.592626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.222310 (E_RNA)
where:
Base-Base interactions energy: -147.643
where: short stacking energy: -58.945
Base-Backbone interact. energy: -0.000
local terms energy: -54.579405
where:
bonds (distance) C4'-P energy: -5.884
bonds (distance) P-C4' energy: -8.322
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -16.022
Dist. restrs. and SS energy: 6.630 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -203.509345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.509345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.567976 (E_RNA)
where:
Base-Base interactions energy: -144.804
where: short stacking energy: -59.066
Base-Backbone interact. energy: -0.000
local terms energy: -58.763525
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -10.844
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: -13.047
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: 121
Temperature: 1.250000
Total energy: -200.933437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.933437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.029151 (E_RNA)
where:
Base-Base interactions energy: -142.788
where: short stacking energy: -58.396
Base-Backbone interact. energy: -0.001
local terms energy: -58.240343
where:
bonds (distance) C4'-P energy: -10.117
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -10.410
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -12.277
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: 121
Temperature: 1.300000
Total energy: -194.216885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.216885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.309961 (E_RNA)
where:
Base-Base interactions energy: -149.683
where: short stacking energy: -55.747
Base-Backbone interact. energy: -0.041
local terms energy: -44.585825
where:
bonds (distance) C4'-P energy: -4.006
bonds (distance) P-C4' energy: -10.131
flat angles C4'-P-C4' energy: -10.494
flat angles P-C4'-P energy: -6.143
tors. eta vs tors. theta energy: -13.812
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -174.391135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.391135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.136257 (E_RNA)
where:
Base-Base interactions energy: -125.936
where: short stacking energy: -55.664
Base-Backbone interact. energy: -0.606
local terms energy: -55.593687
where:
bonds (distance) C4'-P energy: -7.705
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -9.061
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: -15.585
Dist. restrs. and SS energy: 7.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -239.301907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.301907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.301907 (E_RNA)
where:
Base-Base interactions energy: -174.453
where: short stacking energy: -69.551
Base-Backbone interact. energy: -0.173
local terms energy: -64.675483
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -10.747
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: -19.520
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -229.910795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.910795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.910795 (E_RNA)
where:
Base-Base interactions energy: -159.740
where: short stacking energy: -62.543
Base-Backbone interact. energy: -0.004
local terms energy: -70.166095
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -14.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -218.318277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.318277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.349227 (E_RNA)
where:
Base-Base interactions energy: -151.376
where: short stacking energy: -64.969
Base-Backbone interact. energy: 0.458
local terms energy: -67.431152
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -18.166
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -213.583341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.583341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.695387 (E_RNA)
where:
Base-Base interactions energy: -155.344
where: short stacking energy: -58.180
Base-Backbone interact. energy: -0.286
local terms energy: -58.066008
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -8.305
flat angles C4'-P-C4' energy: -12.059
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: -17.223
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -200.836815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.836815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.942129 (E_RNA)
where:
Base-Base interactions energy: -147.848
where: short stacking energy: -60.409
Base-Backbone interact. energy: -0.146
local terms energy: -60.948769
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -11.179
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -5.425
tors. eta vs tors. theta energy: -16.817
Dist. restrs. and SS energy: 8.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -201.037120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.037120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.113896 (E_RNA)
where:
Base-Base interactions energy: -140.223
where: short stacking energy: -57.296
Base-Backbone interact. energy: -0.015
local terms energy: -60.876507
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -10.341
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -7.416
tors. eta vs tors. theta energy: -15.775
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -206.907995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.907995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.115441 (E_RNA)
where:
Base-Base interactions energy: -149.896
where: short stacking energy: -60.482
Base-Backbone interact. energy: -0.003
local terms energy: -57.216393
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -13.415
flat angles C4'-P-C4' energy: -10.185
flat angles P-C4'-P energy: -7.364
tors. eta vs tors. theta energy: -15.525
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: 8
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -196.598329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.598329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.706321 (E_RNA)
where:
Base-Base interactions energy: -141.770
where: short stacking energy: -60.159
Base-Backbone interact. energy: -0.012
local terms energy: -54.925190
where:
bonds (distance) C4'-P energy: -10.061
bonds (distance) P-C4' energy: -13.925
flat angles C4'-P-C4' energy: -9.107
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -13.639
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: 10
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -196.238260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.238260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.336141 (E_RNA)
where:
Base-Base interactions energy: -144.672
where: short stacking energy: -57.107
Base-Backbone interact. energy: -0.173
local terms energy: -51.491610
where:
bonds (distance) C4'-P energy: -9.647
bonds (distance) P-C4' energy: -11.557
flat angles C4'-P-C4' energy: -10.999
flat angles P-C4'-P energy: -4.504
tors. eta vs tors. theta energy: -14.784
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: 122
Temperature: 1.350000
Total energy: -179.075651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.075651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.361757 (E_RNA)
where:
Base-Base interactions energy: -130.662
where: short stacking energy: -49.396
Base-Backbone interact. energy: -0.716
local terms energy: -55.983570
where:
bonds (distance) C4'-P energy: -12.929
bonds (distance) P-C4' energy: -10.010
flat angles C4'-P-C4' energy: -12.233
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: -13.885
Dist. restrs. and SS energy: 8.286 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -239.108003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.108003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.198938 (E_RNA)
where:
Base-Base interactions energy: -175.844
where: short stacking energy: -73.168
Base-Backbone interact. energy: -0.615
local terms energy: -62.740261
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -2.692
tors. eta vs tors. theta energy: -18.627
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -216.722237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.722237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.755898 (E_RNA)
where:
Base-Base interactions energy: -160.851
where: short stacking energy: -63.557
Base-Backbone interact. energy: -0.019
local terms energy: -55.886046
where:
bonds (distance) C4'-P energy: -10.006
bonds (distance) P-C4' energy: -10.645
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -3.187
tors. eta vs tors. theta energy: -19.141
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -211.945057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.945057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.984906 (E_RNA)
where:
Base-Base interactions energy: -147.110
where: short stacking energy: -63.489
Base-Backbone interact. energy: -0.002
local terms energy: -64.872767
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -15.167
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: 4
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -208.290059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.290059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.790802 (E_RNA)
where:
Base-Base interactions energy: -155.268
where: short stacking energy: -62.524
Base-Backbone interact. energy: -0.572
local terms energy: -59.951165
where:
bonds (distance) C4'-P energy: -9.768
bonds (distance) P-C4' energy: -9.582
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -15.385
Dist. restrs. and SS energy: 7.501 (S_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: 123
Temperature: 1.100000
Total energy: -202.375391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.375391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.412617 (E_RNA)
where:
Base-Base interactions energy: -142.145
where: short stacking energy: -62.502
Base-Backbone interact. energy: -0.043
local terms energy: -60.224833
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -12.201
flat angles C4'-P-C4' energy: -9.477
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -15.582
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -203.486324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.486324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.487580 (E_RNA)
where:
Base-Base interactions energy: -143.777
where: short stacking energy: -56.753
Base-Backbone interact. energy: -0.007
local terms energy: -59.703705
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -11.212
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -11.662
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: 123
Temperature: 1.200000
Total energy: -206.880115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.880115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.950418 (E_RNA)
where:
Base-Base interactions energy: -142.870
where: short stacking energy: -56.274
Base-Backbone interact. energy: -0.000
local terms energy: -64.080215
where:
bonds (distance) C4'-P energy: -10.204
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -13.494
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: 10
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -206.892724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.892724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.942981 (E_RNA)
where:
Base-Base interactions energy: -142.276
where: short stacking energy: -54.963
Base-Backbone interact. energy: -0.360
local terms energy: -64.306781
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -8.874
tors. eta vs tors. theta energy: -11.715
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: 8
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -197.436784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.436784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.600057 (E_RNA)
where:
Base-Base interactions energy: -137.570
where: short stacking energy: -53.630
Base-Backbone interact. energy: -0.026
local terms energy: -60.004350
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -11.704
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -15.871
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -166.159985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.159985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.561237 (E_RNA)
where:
Base-Base interactions energy: -124.029
where: short stacking energy: -47.179
Base-Backbone interact. energy: -0.039
local terms energy: -49.492934
where:
bonds (distance) C4'-P energy: -4.793
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -11.064
flat angles P-C4'-P energy: -7.363
tors. eta vs tors. theta energy: -10.800
Dist. restrs. and SS energy: 7.401 (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: 7
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -223.658907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.658907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.695561 (E_RNA)
where:
Base-Base interactions energy: -160.766
where: short stacking energy: -64.553
Base-Backbone interact. energy: -0.001
local terms energy: -62.928823
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -5.006
tors. eta vs tors. theta energy: -15.867
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -234.123043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.123043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.149561 (E_RNA)
where:
Base-Base interactions energy: -169.944
where: short stacking energy: -64.389
Base-Backbone interact. energy: -0.002
local terms energy: -64.203500
where:
bonds (distance) C4'-P energy: -10.191
bonds (distance) P-C4' energy: -15.484
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -3.942
tors. eta vs tors. theta energy: -19.790
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -210.298361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.298361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.341225 (E_RNA)
where:
Base-Base interactions energy: -148.301
where: short stacking energy: -60.638
Base-Backbone interact. energy: -0.122
local terms energy: -61.918394
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -12.014
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -17.026
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -205.270010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.270010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.927181 (E_RNA)
where:
Base-Base interactions energy: -146.341
where: short stacking energy: -63.297
Base-Backbone interact. energy: -0.025
local terms energy: -66.561982
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -10.619
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -18.133
Dist. restrs. and SS energy: 7.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -206.569765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.569765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.572490 (E_RNA)
where:
Base-Base interactions energy: -147.021
where: short stacking energy: -64.966
Base-Backbone interact. energy: -0.000
local terms energy: -59.550811
where:
bonds (distance) C4'-P energy: -9.366
bonds (distance) P-C4' energy: -12.209
flat angles C4'-P-C4' energy: -10.402
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -17.784
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: 1
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -200.651570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.651570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.890185 (E_RNA)
where:
Base-Base interactions energy: -146.002
where: short stacking energy: -60.441
Base-Backbone interact. energy: 0.513
local terms energy: -55.401528
where:
bonds (distance) C4'-P energy: -8.377
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -11.683
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -12.869
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: 7, replica: 10
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -201.930537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.930537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.165330 (E_RNA)
where:
Base-Base interactions energy: -150.849
where: short stacking energy: -61.471
Base-Backbone interact. energy: -0.032
local terms energy: -51.284426
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -9.723
flat angles C4'-P-C4' energy: -6.792
flat angles P-C4'-P energy: -4.574
tors. eta vs tors. theta energy: -16.403
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: 8, replica: 3
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -194.593478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.593478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.609848 (E_RNA)
where:
Base-Base interactions energy: -135.711
where: short stacking energy: -49.553
Base-Backbone interact. energy: -0.119
local terms energy: -58.779628
where:
bonds (distance) C4'-P energy: -10.612
bonds (distance) P-C4' energy: -12.281
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -12.355
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: 124
Temperature: 1.300000
Total energy: -196.153089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.153089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.155567 (E_RNA)
where:
Base-Base interactions energy: -151.356
where: short stacking energy: -60.247
Base-Backbone interact. energy: -0.074
local terms energy: -44.724957
where:
bonds (distance) C4'-P energy: -10.198
bonds (distance) P-C4' energy: -9.957
flat angles C4'-P-C4' energy: -11.602
flat angles P-C4'-P energy: -1.230
tors. eta vs tors. theta energy: -11.737
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -165.394996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.394996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.566722 (E_RNA)
where:
Base-Base interactions energy: -121.020
where: short stacking energy: -49.124
Base-Backbone interact. energy: -0.436
local terms energy: -50.110015
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -7.102
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -7.159
tors. eta vs tors. theta energy: -10.610
Dist. restrs. and SS energy: 6.172 (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: 7
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -230.609496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.609496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.646092 (E_RNA)
where:
Base-Base interactions energy: -163.293
where: short stacking energy: -64.387
Base-Backbone interact. energy: -0.001
local terms energy: -67.352246
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -7.445
tors. eta vs tors. theta energy: -19.181
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -234.434516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.434516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.462411 (E_RNA)
where:
Base-Base interactions energy: -172.048
where: short stacking energy: -70.137
Base-Backbone interact. energy: -0.619
local terms energy: -61.795738
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -6.085
tors. eta vs tors. theta energy: -14.527
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -213.406248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.406248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.430814 (E_RNA)
where:
Base-Base interactions energy: -145.052
where: short stacking energy: -65.451
Base-Backbone interact. energy: -0.002
local terms energy: -68.376675
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -11.637
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -19.288
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: 9
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -213.414258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.414258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.414258 (E_RNA)
where:
Base-Base interactions energy: -148.756
where: short stacking energy: -63.026
Base-Backbone interact. energy: -0.280
local terms energy: -64.378427
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -12.384
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -7.465
tors. eta vs tors. theta energy: -17.074
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -188.902263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.902263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.178236 (E_RNA)
where:
Base-Base interactions energy: -133.577
where: short stacking energy: -61.429
Base-Backbone interact. energy: -0.034
local terms energy: -63.567756
where:
bonds (distance) C4'-P energy: -10.181
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -13.490
Dist. restrs. and SS energy: 8.276 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -203.638981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.638981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.848039 (E_RNA)
where:
Base-Base interactions energy: -143.802
where: short stacking energy: -57.294
Base-Backbone interact. energy: -0.058
local terms energy: -59.988061
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -12.086
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: 7, replica: 1
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -198.448293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.448293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.568281 (E_RNA)
where:
Base-Base interactions energy: -138.920
where: short stacking energy: -51.330
Base-Backbone interact. energy: -0.138
local terms energy: -59.509972
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -6.881
tors. eta vs tors. theta energy: -10.086
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: 8, replica: 8
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -193.786586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.786586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.871741 (E_RNA)
where:
Base-Base interactions energy: -135.383
where: short stacking energy: -52.488
Base-Backbone interact. energy: -0.041
local terms energy: -58.448493
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -5.170
tors. eta vs tors. theta energy: -15.314
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: 3
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -191.241573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.241573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.302034 (E_RNA)
where:
Base-Base interactions energy: -128.822
where: short stacking energy: -47.378
Base-Backbone interact. energy: -0.039
local terms energy: -62.440933
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -11.860
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -168.255249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.255249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.128385 (E_RNA)
where:
Base-Base interactions energy: -125.551
where: short stacking energy: -49.535
Base-Backbone interact. energy: -0.471
local terms energy: -49.106220
where:
bonds (distance) C4'-P energy: -9.308
bonds (distance) P-C4' energy: -9.160
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -11.157
Dist. restrs. and SS energy: 6.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -237.445697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.445697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.541697 (E_RNA)
where:
Base-Base interactions energy: -168.289
where: short stacking energy: -69.317
Base-Backbone interact. energy: -0.272
local terms energy: -68.980061
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -6.249
tors. eta vs tors. theta energy: -16.912
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -223.274294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.274294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.274294 (E_RNA)
where:
Base-Base interactions energy: -158.416
where: short stacking energy: -67.043
Base-Backbone interact. energy: -0.001
local terms energy: -64.857472
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -18.851
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: 3, replica: 9
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -218.295244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.295244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.510726 (E_RNA)
where:
Base-Base interactions energy: -158.059
where: short stacking energy: -60.199
Base-Backbone interact. energy: -0.023
local terms energy: -60.428711
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -11.526
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -16.627
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: 4, replica: 6
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -211.448623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.448623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.710879 (E_RNA)
where:
Base-Base interactions energy: -145.376
where: short stacking energy: -62.815
Base-Backbone interact. energy: -0.000
local terms energy: -66.334702
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -9.045
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -18.683
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: 5, replica: 10
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -207.478199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.478199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.478199 (E_RNA)
where:
Base-Base interactions energy: -147.140
where: short stacking energy: -55.485
Base-Backbone interact. energy: -0.003
local terms energy: -60.335512
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -8.700
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -17.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -195.946547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.946547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.989821 (E_RNA)
where:
Base-Base interactions energy: -139.463
where: short stacking energy: -64.377
Base-Backbone interact. energy: -0.005
local terms energy: -64.521887
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -14.990
flat angles P-C4'-P energy: -5.249
tors. eta vs tors. theta energy: -17.141
Dist. restrs. and SS energy: 8.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -197.589467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.589467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.638279 (E_RNA)
where:
Base-Base interactions energy: -139.636
where: short stacking energy: -56.619
Base-Backbone interact. energy: -0.001
local terms energy: -58.000936
where:
bonds (distance) C4'-P energy: -8.000
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -14.874
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: 8
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -195.249980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.249980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.551278 (E_RNA)
where:
Base-Base interactions energy: -134.428
where: short stacking energy: -52.414
Base-Backbone interact. energy: -0.214
local terms energy: -60.909480
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -7.100
tors. eta vs tors. theta energy: -15.514
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: 9, replica: 5
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -181.008687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.008687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.421826 (E_RNA)
where:
Base-Base interactions energy: -128.584
where: short stacking energy: -58.474
Base-Backbone interact. energy: -0.011
local terms energy: -59.826186
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -15.163
Dist. restrs. and SS energy: 7.413 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -189.872233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.872233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.890337 (E_RNA)
where:
Base-Base interactions energy: -124.038
where: short stacking energy: -47.206
Base-Backbone interact. energy: -0.538
local terms energy: -65.314291
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -13.507
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -236.796093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.796093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.804917 (E_RNA)
where:
Base-Base interactions energy: -177.083
where: short stacking energy: -70.542
Base-Backbone interact. energy: -0.002
local terms energy: -59.719798
where:
bonds (distance) C4'-P energy: -9.858
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -6.055
tors. eta vs tors. theta energy: -17.350
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -221.522384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.522384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.552103 (E_RNA)
where:
Base-Base interactions energy: -156.238
where: short stacking energy: -64.655
Base-Backbone interact. energy: -0.000
local terms energy: -65.314119
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -13.913
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -227.697595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.697595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.699917 (E_RNA)
where:
Base-Base interactions energy: -165.587
where: short stacking energy: -69.985
Base-Backbone interact. energy: -0.048
local terms energy: -62.064569
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -12.391
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -12.425
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: 6
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -208.204418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.204418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.237026 (E_RNA)
where:
Base-Base interactions energy: -142.634
where: short stacking energy: -55.431
Base-Backbone interact. energy: -0.030
local terms energy: -65.572789
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -15.315
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: 127
Temperature: 1.100000
Total energy: -208.715833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.715833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.829007 (E_RNA)
where:
Base-Base interactions energy: -143.170
where: short stacking energy: -62.775
Base-Backbone interact. energy: -0.046
local terms energy: -65.612892
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -11.027
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -18.056
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: 127
Temperature: 1.150000
Total energy: -202.656096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.656096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.821205 (E_RNA)
where:
Base-Base interactions energy: -146.717
where: short stacking energy: -61.715
Base-Backbone interact. energy: -0.010
local terms energy: -56.094106
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -8.542
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -13.588
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: 4
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -181.696227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.696227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.048031 (E_RNA)
where:
Base-Base interactions energy: -126.608
where: short stacking energy: -50.536
Base-Backbone interact. energy: -1.381
local terms energy: -61.058763
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -10.645
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -14.150
Dist. restrs. and SS energy: 7.352 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -178.909445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.909445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.057537 (E_RNA)
where:
Base-Base interactions energy: -132.853
where: short stacking energy: -59.156
Base-Backbone interact. energy: -0.708
local terms energy: -53.496848
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -9.900
flat angles P-C4'-P energy: -1.835
tors. eta vs tors. theta energy: -17.764
Dist. restrs. and SS energy: 8.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -204.719755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.719755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.906558 (E_RNA)
where:
Base-Base interactions energy: -144.476
where: short stacking energy: -55.502
Base-Backbone interact. energy: -0.125
local terms energy: -60.305683
where:
bonds (distance) C4'-P energy: -8.981
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -16.582
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: 3
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -189.027858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.027858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.116377 (E_RNA)
where:
Base-Base interactions energy: -137.445
where: short stacking energy: -51.878
Base-Backbone interact. energy: -0.116
local terms energy: -51.555371
where:
bonds (distance) C4'-P energy: -10.422
bonds (distance) P-C4' energy: -11.360
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -5.318
tors. eta vs tors. theta energy: -11.176
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -237.615018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.615018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.615018 (E_RNA)
where:
Base-Base interactions energy: -170.272
where: short stacking energy: -68.615
Base-Backbone interact. energy: -0.256
local terms energy: -67.086964
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -7.576
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: 2, replica: 9
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -219.310932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.310932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.310932 (E_RNA)
where:
Base-Base interactions energy: -149.086
where: short stacking energy: -61.590
Base-Backbone interact. energy: -0.041
local terms energy: -70.183866
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -18.169
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -225.073941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.073941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.073941 (E_RNA)
where:
Base-Base interactions energy: -163.169
where: short stacking energy: -63.012
Base-Backbone interact. energy: -0.066
local terms energy: -61.838876
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -12.256
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -15.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -204.362729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.362729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.474078 (E_RNA)
where:
Base-Base interactions energy: -144.720
where: short stacking energy: -58.034
Base-Backbone interact. energy: -0.001
local terms energy: -59.753531
where:
bonds (distance) C4'-P energy: -12.756
bonds (distance) P-C4' energy: -12.183
flat angles C4'-P-C4' energy: -10.249
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: -17.307
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -203.630411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.630411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.733300 (E_RNA)
where:
Base-Base interactions energy: -142.225
where: short stacking energy: -55.549
Base-Backbone interact. energy: -0.621
local terms energy: -60.887005
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -12.048
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -11.578
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: 10
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -208.566684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.566684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.579360 (E_RNA)
where:
Base-Base interactions energy: -148.127
where: short stacking energy: -63.562
Base-Backbone interact. energy: 0.615
local terms energy: -61.066410
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: -15.904
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: 7, replica: 5
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -184.792705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.792705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.623776 (E_RNA)
where:
Base-Base interactions energy: -133.449
where: short stacking energy: -63.183
Base-Backbone interact. energy: -0.000
local terms energy: -58.174636
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -12.848
flat angles C4'-P-C4' energy: -8.489
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -17.769
Dist. restrs. and SS energy: 6.831 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -177.304727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.304727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.069191 (E_RNA)
where:
Base-Base interactions energy: -126.749
where: short stacking energy: -52.371
Base-Backbone interact. energy: -0.124
local terms energy: -57.195287
where:
bonds (distance) C4'-P energy: -10.899
bonds (distance) P-C4' energy: -9.856
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -13.372
Dist. restrs. and SS energy: 6.764 (S_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: 128
Temperature: 1.300000
Total energy: -203.188395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.188395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.259968 (E_RNA)
where:
Base-Base interactions energy: -143.715
where: short stacking energy: -59.559
Base-Backbone interact. energy: -0.083
local terms energy: -59.461603
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -12.281
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -6.058
tors. eta vs tors. theta energy: -14.330
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: 8
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -188.156649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.156649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.188692 (E_RNA)
where:
Base-Base interactions energy: -129.377
where: short stacking energy: -47.781
Base-Backbone interact. energy: -0.349
local terms energy: -58.463240
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -12.978
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -235.301759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.301759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.348151 (E_RNA)
where:
Base-Base interactions energy: -170.161
where: short stacking energy: -67.898
Base-Backbone interact. energy: -0.001
local terms energy: -65.186486
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -4.776
tors. eta vs tors. theta energy: -16.842
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -228.606498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.606498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.616921 (E_RNA)
where:
Base-Base interactions energy: -168.688
where: short stacking energy: -65.992
Base-Backbone interact. energy: -0.007
local terms energy: -59.921805
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -13.451
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -3.622
tors. eta vs tors. theta energy: -16.151
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: 129
Temperature: 1.000000
Total energy: -211.840679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.840679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.880520 (E_RNA)
where:
Base-Base interactions energy: -146.785
where: short stacking energy: -63.070
Base-Backbone interact. energy: -0.001
local terms energy: -65.094318
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -14.645
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -203.925927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.925927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.058930 (E_RNA)
where:
Base-Base interactions energy: -146.350
where: short stacking energy: -58.128
Base-Backbone interact. energy: -0.117
local terms energy: -57.592160
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -10.608
flat angles P-C4'-P energy: -6.712
tors. eta vs tors. theta energy: -14.513
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -205.126309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.126309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.149493 (E_RNA)
where:
Base-Base interactions energy: -143.020
where: short stacking energy: -55.799
Base-Backbone interact. energy: -0.185
local terms energy: -61.944129
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -11.448
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: 10
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -210.603959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.603959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.603959 (E_RNA)
where:
Base-Base interactions energy: -144.159
where: short stacking energy: -59.845
Base-Backbone interact. energy: -0.055
local terms energy: -66.389730
where:
bonds (distance) C4'-P energy: -11.139
bonds (distance) P-C4' energy: -13.076
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -18.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -191.850268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.850268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.139243 (E_RNA)
where:
Base-Base interactions energy: -136.467
where: short stacking energy: -61.614
Base-Backbone interact. energy: -0.100
local terms energy: -63.572664
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -6.085
tors. eta vs tors. theta energy: -15.449
Dist. restrs. and SS energy: 8.289 (S_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: 129
Temperature: 1.250000
Total energy: -201.586492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.586492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.745788 (E_RNA)
where:
Base-Base interactions energy: -140.821
where: short stacking energy: -58.127
Base-Backbone interact. energy: -0.363
local terms energy: -60.561756
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -10.811
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -9.612
tors. eta vs tors. theta energy: -16.171
Dist. restrs. and SS energy: 0.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -171.709543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.709543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.344250 (E_RNA)
where:
Base-Base interactions energy: -124.478
where: short stacking energy: -54.067
Base-Backbone interact. energy: -0.095
local terms energy: -55.771165
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -11.409
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -8.710
tors. eta vs tors. theta energy: -12.098
Dist. restrs. and SS energy: 8.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -188.586690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.586690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.625306 (E_RNA)
where:
Base-Base interactions energy: -146.043
where: short stacking energy: -60.497
Base-Backbone interact. energy: 1.159
local terms energy: -43.740844
where:
bonds (distance) C4'-P energy: -9.094
bonds (distance) P-C4' energy: -3.349
flat angles C4'-P-C4' energy: -9.179
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -11.663
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: 7
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -213.142879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.142879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.142879 (E_RNA)
where:
Base-Base interactions energy: -146.153
where: short stacking energy: -59.992
Base-Backbone interact. energy: -0.017
local terms energy: -66.972418
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -14.168
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: 2, replica: 2
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -234.528942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.528942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.761971 (E_RNA)
where:
Base-Base interactions energy: -167.791
where: short stacking energy: -67.603
Base-Backbone interact. energy: -0.319
local terms energy: -66.651843
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -5.958
tors. eta vs tors. theta energy: -17.375
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: 3, replica: 6
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -217.762914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.762914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.956960 (E_RNA)
where:
Base-Base interactions energy: -150.147
where: short stacking energy: -67.465
Base-Backbone interact. energy: -0.706
local terms energy: -67.103659
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -17.341
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: 4, replica: 9
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -215.311934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.311934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.311934 (E_RNA)
where:
Base-Base interactions energy: -162.839
where: short stacking energy: -65.685
Base-Backbone interact. energy: -0.002
local terms energy: -52.471106
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -8.928
flat angles C4'-P-C4' energy: -10.169
flat angles P-C4'-P energy: -3.499
tors. eta vs tors. theta energy: -16.398
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -212.609839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.609839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.659246 (E_RNA)
where:
Base-Base interactions energy: -148.161
where: short stacking energy: -64.881
Base-Backbone interact. energy: -0.002
local terms energy: -64.495672
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -15.089
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -202.453712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.453712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.503537 (E_RNA)
where:
Base-Base interactions energy: -140.449
where: short stacking energy: -58.317
Base-Backbone interact. energy: -0.004
local terms energy: -62.050286
where:
bonds (distance) C4'-P energy: -13.444
bonds (distance) P-C4' energy: -7.759
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -9.093
tors. eta vs tors. theta energy: -16.815
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -199.565302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.565302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.590153 (E_RNA)
where:
Base-Base interactions energy: -133.628
where: short stacking energy: -52.491
Base-Backbone interact. energy: -0.222
local terms energy: -65.739950
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -14.600
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: 130
Temperature: 1.250000
Total energy: -175.537324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.537324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.942528 (E_RNA)
where:
Base-Base interactions energy: -126.609
where: short stacking energy: -52.527
Base-Backbone interact. energy: -0.136
local terms energy: -56.198046
where:
bonds (distance) C4'-P energy: -8.618
bonds (distance) P-C4' energy: -13.181
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -12.648
Dist. restrs. and SS energy: 7.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -193.826530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.826530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.186727 (E_RNA)
where:
Base-Base interactions energy: -134.489
where: short stacking energy: -51.790
Base-Backbone interact. energy: 0.390
local terms energy: -60.088104
where:
bonds (distance) C4'-P energy: -11.011
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -9.698
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: 4
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -175.791899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.791899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.675290 (E_RNA)
where:
Base-Base interactions energy: -128.231
where: short stacking energy: -58.006
Base-Backbone interact. energy: -0.079
local terms energy: -56.365593
where:
bonds (distance) C4'-P energy: -10.570
bonds (distance) P-C4' energy: -10.033
flat angles C4'-P-C4' energy: -9.575
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -16.099
Dist. restrs. and SS energy: 8.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -221.520501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.520501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.520501 (E_RNA)
where:
Base-Base interactions energy: -153.715
where: short stacking energy: -63.778
Base-Backbone interact. energy: -0.002
local terms energy: -67.803996
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -11.719
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -18.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -234.607532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.607532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.645913 (E_RNA)
where:
Base-Base interactions energy: -175.006
where: short stacking energy: -70.713
Base-Backbone interact. energy: -0.906
local terms energy: -58.734489
where:
bonds (distance) C4'-P energy: -10.450
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -3.192
tors. eta vs tors. theta energy: -16.348
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -209.497285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.497285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.761204 (E_RNA)
where:
Base-Base interactions energy: -146.021
where: short stacking energy: -62.647
Base-Backbone interact. energy: -0.009
local terms energy: -63.731104
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -14.689
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: 4, replica: 10
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -213.417643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.417643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.439638 (E_RNA)
where:
Base-Base interactions energy: -146.610
where: short stacking energy: -56.155
Base-Backbone interact. energy: -0.416
local terms energy: -66.413476
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -11.670
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -15.229
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: 131
Temperature: 1.100000
Total energy: -205.774938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.774938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.852741 (E_RNA)
where:
Base-Base interactions energy: -145.928
where: short stacking energy: -58.678
Base-Backbone interact. energy: -0.005
local terms energy: -59.919778
where:
bonds (distance) C4'-P energy: -11.981
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -11.348
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -13.489
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: 3
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -203.310520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.310520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.328853 (E_RNA)
where:
Base-Base interactions energy: -146.001
where: short stacking energy: -55.886
Base-Backbone interact. energy: -0.447
local terms energy: -56.881283
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -9.392
flat angles P-C4'-P energy: -4.922
tors. eta vs tors. theta energy: -16.854
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: 1
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -198.981779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.981779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.037080 (E_RNA)
where:
Base-Base interactions energy: -140.486
where: short stacking energy: -53.862
Base-Backbone interact. energy: 0.782
local terms energy: -59.332937
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -11.024
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -11.055
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: 8
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -200.064870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.064870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.074924 (E_RNA)
where:
Base-Base interactions energy: -145.635
where: short stacking energy: -66.295
Base-Backbone interact. energy: -0.129
local terms energy: -54.311106
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -7.287
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -12.722
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -180.331402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.331402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.214535 (E_RNA)
where:
Base-Base interactions energy: -126.705
where: short stacking energy: -48.569
Base-Backbone interact. energy: -0.019
local terms energy: -61.489847
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -11.079
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -16.417
Dist. restrs. and SS energy: 7.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -179.593952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.593952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.059523 (E_RNA)
where:
Base-Base interactions energy: -131.564
where: short stacking energy: -51.866
Base-Backbone interact. energy: -0.011
local terms energy: -54.484325
where:
bonds (distance) C4'-P energy: -8.903
bonds (distance) P-C4' energy: -10.083
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -15.025
Dist. restrs. and SS energy: 6.466 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -230.360892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.360892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.392791 (E_RNA)
where:
Base-Base interactions energy: -166.707
where: short stacking energy: -64.800
Base-Backbone interact. energy: -0.002
local terms energy: -63.684214
where:
bonds (distance) C4'-P energy: -11.085
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -6.271
tors. eta vs tors. theta energy: -16.848
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: 7
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -217.272539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.272539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.312759 (E_RNA)
where:
Base-Base interactions energy: -151.421
where: short stacking energy: -64.113
Base-Backbone interact. energy: 1.226
local terms energy: -67.118372
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -13.112
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -13.963
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -212.395327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.395327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.465416 (E_RNA)
where:
Base-Base interactions energy: -141.065
where: short stacking energy: -59.538
Base-Backbone interact. energy: -0.075
local terms energy: -71.325921
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -18.383
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: 6
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -211.167170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.167170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.377873 (E_RNA)
where:
Base-Base interactions energy: -147.999
where: short stacking energy: -60.433
Base-Backbone interact. energy: -0.002
local terms energy: -63.377837
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -11.280
tors. eta vs tors. theta energy: -13.270
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: 5, replica: 9
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -203.745100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.745100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.792893 (E_RNA)
where:
Base-Base interactions energy: -143.597
where: short stacking energy: -58.888
Base-Backbone interact. energy: -0.002
local terms energy: -60.194365
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -10.484
flat angles C4'-P-C4' energy: -8.849
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -16.932
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -200.891701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.891701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.091170 (E_RNA)
where:
Base-Base interactions energy: -142.906
where: short stacking energy: -60.150
Base-Backbone interact. energy: 0.030
local terms energy: -58.214350
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -11.065
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -13.392
Dist. restrs. and SS energy: 0.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -204.263307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.263307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.544122 (E_RNA)
where:
Base-Base interactions energy: -139.478
where: short stacking energy: -58.619
Base-Backbone interact. energy: -0.136
local terms energy: -64.930365
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -14.018
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: 1
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -203.882550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.882550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.899734 (E_RNA)
where:
Base-Base interactions energy: -147.196
where: short stacking energy: -57.600
Base-Backbone interact. energy: -0.026
local terms energy: -56.677594
where:
bonds (distance) C4'-P energy: -9.709
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -11.185
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -13.785
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -176.561535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.561535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.750881 (E_RNA)
where:
Base-Base interactions energy: -126.304
where: short stacking energy: -57.321
Base-Backbone interact. energy: -1.543
local terms energy: -56.903574
where:
bonds (distance) C4'-P energy: -5.917
bonds (distance) P-C4' energy: -11.815
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -7.144
tors. eta vs tors. theta energy: -18.128
Dist. restrs. and SS energy: 8.189 (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: 5
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -182.409486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.409486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.325465 (E_RNA)
where:
Base-Base interactions energy: -134.726
where: short stacking energy: -57.720
Base-Backbone interact. energy: -0.001
local terms energy: -54.599195
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -10.613
flat angles C4'-P-C4' energy: -8.496
flat angles P-C4'-P energy: -5.435
tors. eta vs tors. theta energy: -17.728
Dist. restrs. and SS energy: 6.916 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -228.015055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.015055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.050430 (E_RNA)
where:
Base-Base interactions energy: -163.160
where: short stacking energy: -63.986
Base-Backbone interact. energy: -0.038
local terms energy: -64.853022
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -5.204
tors. eta vs tors. theta energy: -17.826
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -219.824346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.824346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.941849 (E_RNA)
where:
Base-Base interactions energy: -157.050
where: short stacking energy: -59.755
Base-Backbone interact. energy: 0.241
local terms energy: -63.133082
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -6.015
tors. eta vs tors. theta energy: -14.855
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -212.810882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.810882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.045791 (E_RNA)
where:
Base-Base interactions energy: -152.598
where: short stacking energy: -61.685
Base-Backbone interact. energy: -0.004
local terms energy: -60.443179
where:
bonds (distance) C4'-P energy: -11.270
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -4.778
tors. eta vs tors. theta energy: -16.083
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: 133
Temperature: 1.050000
Total energy: -218.385546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.385546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.411753 (E_RNA)
where:
Base-Base interactions energy: -151.051
where: short stacking energy: -60.710
Base-Backbone interact. energy: -0.000
local terms energy: -67.360352
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -15.415
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -206.337825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.337825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.665267 (E_RNA)
where:
Base-Base interactions energy: -144.294
where: short stacking energy: -65.758
Base-Backbone interact. energy: -0.251
local terms energy: -62.120811
where:
bonds (distance) C4'-P energy: -10.725
bonds (distance) P-C4' energy: -10.547
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -17.425
Dist. restrs. and SS energy: 0.327 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -204.361589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.361589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.430609 (E_RNA)
where:
Base-Base interactions energy: -140.592
where: short stacking energy: -57.701
Base-Backbone interact. energy: -0.002
local terms energy: -63.836521
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -10.925
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: -16.754
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: 3
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -201.323234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.323234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.376468 (E_RNA)
where:
Base-Base interactions energy: -136.533
where: short stacking energy: -50.683
Base-Backbone interact. energy: -0.819
local terms energy: -64.024028
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -12.610
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: 4
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -177.028733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.028733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.977205 (E_RNA)
where:
Base-Base interactions energy: -122.686
where: short stacking energy: -49.240
Base-Backbone interact. energy: -0.178
local terms energy: -60.112915
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -11.235
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -15.973
Dist. restrs. and SS energy: 5.948 (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: 1
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -203.614545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.614545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.687757 (E_RNA)
where:
Base-Base interactions energy: -136.279
where: short stacking energy: -57.353
Base-Backbone interact. energy: -0.001
local terms energy: -67.407629
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -15.928
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: 5
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -168.325100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.325100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.756103 (E_RNA)
where:
Base-Base interactions energy: -123.565
where: short stacking energy: -56.104
Base-Backbone interact. energy: -0.194
local terms energy: -52.997105
where:
bonds (distance) C4'-P energy: -10.235
bonds (distance) P-C4' energy: -7.791
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -5.644
tors. eta vs tors. theta energy: -17.517
Dist. restrs. and SS energy: 8.431 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -228.258202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.258202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.268520 (E_RNA)
where:
Base-Base interactions energy: -162.460
where: short stacking energy: -66.620
Base-Backbone interact. energy: -0.001
local terms energy: -65.807880
where:
bonds (distance) C4'-P energy: -11.442
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -7.695
tors. eta vs tors. theta energy: -17.734
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -224.414671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.414671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.431837 (E_RNA)
where:
Base-Base interactions energy: -164.498
where: short stacking energy: -67.813
Base-Backbone interact. energy: -0.290
local terms energy: -59.643479
where:
bonds (distance) C4'-P energy: -10.796
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -16.193
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -215.282188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.282188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.407325 (E_RNA)
where:
Base-Base interactions energy: -150.763
where: short stacking energy: -57.263
Base-Backbone interact. energy: -0.000
local terms energy: -64.643622
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -10.823
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -15.056
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: 134
Temperature: 1.050000
Total energy: -209.074828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.074828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.314687 (E_RNA)
where:
Base-Base interactions energy: -138.223
where: short stacking energy: -57.787
Base-Backbone interact. energy: -0.369
local terms energy: -70.722624
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -17.860
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: 5, replica: 6
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -210.183369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.183369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.279960 (E_RNA)
where:
Base-Base interactions energy: -153.435
where: short stacking energy: -56.988
Base-Backbone interact. energy: -0.331
local terms energy: -56.514146
where:
bonds (distance) C4'-P energy: -7.524
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -12.420
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: 8
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -201.651256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.651256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.784873 (E_RNA)
where:
Base-Base interactions energy: -140.653
where: short stacking energy: -57.063
Base-Backbone interact. energy: -0.289
local terms energy: -60.842792
where:
bonds (distance) C4'-P energy: -9.578
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -16.761
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -193.305868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.305868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.919096 (E_RNA)
where:
Base-Base interactions energy: -139.080
where: short stacking energy: -62.626
Base-Backbone interact. energy: -0.878
local terms energy: -60.960822
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -9.425
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -16.294
Dist. restrs. and SS energy: 7.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -196.251260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.251260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.289898 (E_RNA)
where:
Base-Base interactions energy: -134.446
where: short stacking energy: -55.983
Base-Backbone interact. energy: -0.014
local terms energy: -61.829231
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -11.855
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -11.858
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: 1
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -189.109978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.109978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.218046 (E_RNA)
where:
Base-Base interactions energy: -132.405
where: short stacking energy: -52.573
Base-Backbone interact. energy: -0.012
local terms energy: -56.801544
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -11.612
flat angles P-C4'-P energy: -6.303
tors. eta vs tors. theta energy: -11.772
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: 5
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -168.820359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.820359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.227953 (E_RNA)
where:
Base-Base interactions energy: -124.734
where: short stacking energy: -53.608
Base-Backbone interact. energy: -1.771
local terms energy: -49.722524
where:
bonds (distance) C4'-P energy: -9.210
bonds (distance) P-C4' energy: -9.011
flat angles C4'-P-C4' energy: -10.908
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -11.950
Dist. restrs. and SS energy: 7.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -225.984624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.984624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.025062 (E_RNA)
where:
Base-Base interactions energy: -159.157
where: short stacking energy: -64.777
Base-Backbone interact. energy: -0.006
local terms energy: -66.862152
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -6.886
tors. eta vs tors. theta energy: -18.030
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -215.743825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.743825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.797145 (E_RNA)
where:
Base-Base interactions energy: -147.649
where: short stacking energy: -61.930
Base-Backbone interact. energy: -0.580
local terms energy: -67.568078
where:
bonds (distance) C4'-P energy: -10.550
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -15.326
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -232.897231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.897231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.955984 (E_RNA)
where:
Base-Base interactions energy: -166.419
where: short stacking energy: -69.552
Base-Backbone interact. energy: -0.723
local terms energy: -65.813698
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -10.773
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: -17.412
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -210.678363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.678363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.715326 (E_RNA)
where:
Base-Base interactions energy: -145.151
where: short stacking energy: -60.023
Base-Backbone interact. energy: -0.002
local terms energy: -65.562592
where:
bonds (distance) C4'-P energy: -10.058
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: -16.772
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -213.454289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.454289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.454289 (E_RNA)
where:
Base-Base interactions energy: -146.745
where: short stacking energy: -60.727
Base-Backbone interact. energy: -0.081
local terms energy: -66.628289
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -14.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -196.426469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.426469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.496422 (E_RNA)
where:
Base-Base interactions energy: -140.872
where: short stacking energy: -57.515
Base-Backbone interact. energy: -0.119
local terms energy: -55.505050
where:
bonds (distance) C4'-P energy: -9.167
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -5.537
tors. eta vs tors. theta energy: -14.286
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: 4
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -188.168721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.168721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.614340 (E_RNA)
where:
Base-Base interactions energy: -133.252
where: short stacking energy: -57.024
Base-Backbone interact. energy: -0.042
local terms energy: -62.320215
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -12.713
flat angles C4'-P-C4' energy: -11.538
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -16.643
Dist. restrs. and SS energy: 7.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -205.618480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.618480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.966821 (E_RNA)
where:
Base-Base interactions energy: -154.962
where: short stacking energy: -64.831
Base-Backbone interact. energy: -0.004
local terms energy: -51.001038
where:
bonds (distance) C4'-P energy: -11.614
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -10.518
flat angles P-C4'-P energy: -0.691
tors. eta vs tors. theta energy: -16.424
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: 9, replica: 3
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -200.932977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.932977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.168701 (E_RNA)
where:
Base-Base interactions energy: -138.609
where: short stacking energy: -51.570
Base-Backbone interact. energy: 1.795
local terms energy: -64.354187
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -10.742
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -15.146
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: 5
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -177.100538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.100538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.750882 (E_RNA)
where:
Base-Base interactions energy: -125.493
where: short stacking energy: -49.622
Base-Backbone interact. energy: -0.004
local terms energy: -59.254150
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -6.508
tors. eta vs tors. theta energy: -15.035
Dist. restrs. and SS energy: 7.650 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -225.959561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.959561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.017554 (E_RNA)
where:
Base-Base interactions energy: -160.936
where: short stacking energy: -66.054
Base-Backbone interact. energy: -0.067
local terms energy: -65.014192
where:
bonds (distance) C4'-P energy: -8.547
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: -19.322
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -226.494778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.494778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.509428 (E_RNA)
where:
Base-Base interactions energy: -157.607
where: short stacking energy: -66.472
Base-Backbone interact. energy: -0.003
local terms energy: -68.900121
where:
bonds (distance) C4'-P energy: -9.266
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -17.038
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -218.830108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.830108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.830108 (E_RNA)
where:
Base-Base interactions energy: -154.635
where: short stacking energy: -60.796
Base-Backbone interact. energy: -0.002
local terms energy: -64.193477
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -4.877
tors. eta vs tors. theta energy: -15.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -210.621707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.621707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.649023 (E_RNA)
where:
Base-Base interactions energy: -146.920
where: short stacking energy: -61.189
Base-Backbone interact. energy: -0.027
local terms energy: -63.702209
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -10.638
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -13.006
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: 8
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -207.603402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.603402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.669947 (E_RNA)
where:
Base-Base interactions energy: -146.685
where: short stacking energy: -63.545
Base-Backbone interact. energy: -0.096
local terms energy: -60.889129
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -14.387
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: 7
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -202.741326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.741326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.872866 (E_RNA)
where:
Base-Base interactions energy: -132.687
where: short stacking energy: -52.903
Base-Backbone interact. energy: -0.045
local terms energy: -70.140891
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -15.258
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: 1
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -204.319136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.319136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.560789 (E_RNA)
where:
Base-Base interactions energy: -142.111
where: short stacking energy: -62.755
Base-Backbone interact. energy: -0.102
local terms energy: -62.348520
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -8.761
tors. eta vs tors. theta energy: -16.023
Dist. restrs. and SS energy: 0.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -188.904571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.904571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.885035 (E_RNA)
where:
Base-Base interactions energy: -132.383
where: short stacking energy: -61.621
Base-Backbone interact. energy: 0.137
local terms energy: -63.639447
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -12.176
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -15.774
Dist. restrs. and SS energy: 6.980 (S_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: -200.061744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.061744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.074266 (E_RNA)
where:
Base-Base interactions energy: -141.864
where: short stacking energy: -57.192
Base-Backbone interact. energy: -0.352
local terms energy: -57.858592
where:
bonds (distance) C4'-P energy: -9.400
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -10.096
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -15.909
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -175.529543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.529543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.783886 (E_RNA)
where:
Base-Base interactions energy: -122.093
where: short stacking energy: -51.666
Base-Backbone interact. energy: 0.690
local terms energy: -62.380882
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -14.635
Dist. restrs. and SS energy: 8.254 (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: 2
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -225.797615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.797615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.951810 (E_RNA)
where:
Base-Base interactions energy: -162.850
where: short stacking energy: -64.494
Base-Backbone interact. energy: -0.239
local terms energy: -62.862474
where:
bonds (distance) C4'-P energy: -10.814
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -5.635
tors. eta vs tors. theta energy: -16.678
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: 10
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -220.675400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.675400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.763584 (E_RNA)
where:
Base-Base interactions energy: -154.343
where: short stacking energy: -61.639
Base-Backbone interact. energy: -0.135
local terms energy: -66.285487
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -9.534
tors. eta vs tors. theta energy: -15.289
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -217.289745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.289745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.378348 (E_RNA)
where:
Base-Base interactions energy: -149.098
where: short stacking energy: -66.906
Base-Backbone interact. energy: -0.019
local terms energy: -68.261788
where:
bonds (distance) C4'-P energy: -9.284
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -18.153
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -210.471067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.471067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.497190 (E_RNA)
where:
Base-Base interactions energy: -147.081
where: short stacking energy: -60.610
Base-Backbone interact. energy: 0.344
local terms energy: -63.759724
where:
bonds (distance) C4'-P energy: -9.796
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: -16.816
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -208.820976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.820976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.863675 (E_RNA)
where:
Base-Base interactions energy: -147.498
where: short stacking energy: -56.522
Base-Backbone interact. energy: -0.172
local terms energy: -61.193273
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -10.998
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: -14.300
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -201.953292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.953292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.024605 (E_RNA)
where:
Base-Base interactions energy: -142.673
where: short stacking energy: -61.759
Base-Backbone interact. energy: -0.010
local terms energy: -59.342046
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -10.438
flat angles C4'-P-C4' energy: -11.654
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -14.828
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -198.122764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.122764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.124880 (E_RNA)
where:
Base-Base interactions energy: -138.227
where: short stacking energy: -53.878
Base-Backbone interact. energy: -0.015
local terms energy: -59.882819
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -11.363
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -14.405
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -192.954684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.954684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.065193 (E_RNA)
where:
Base-Base interactions energy: -136.052
where: short stacking energy: -52.400
Base-Backbone interact. energy: -0.002
local terms energy: -57.010718
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -5.708
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -13.910
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -189.985587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.985587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.765910 (E_RNA)
where:
Base-Base interactions energy: -142.513
where: short stacking energy: -63.471
Base-Backbone interact. energy: 0.089
local terms energy: -56.342315
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -8.268
flat angles C4'-P-C4' energy: -10.160
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -17.837
Dist. restrs. and SS energy: 8.780 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -182.621506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.621506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.735932 (E_RNA)
where:
Base-Base interactions energy: -129.227
where: short stacking energy: -56.299
Base-Backbone interact. energy: -0.105
local terms energy: -61.403928
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -10.978
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -7.630
tors. eta vs tors. theta energy: -15.589
Dist. restrs. and SS energy: 8.114 (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: 10
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -231.375671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.375671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.416599 (E_RNA)
where:
Base-Base interactions energy: -172.890
where: short stacking energy: -70.746
Base-Backbone interact. energy: -0.007
local terms energy: -58.519947
where:
bonds (distance) C4'-P energy: -9.972
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -6.588
tors. eta vs tors. theta energy: -15.609
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: 2
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -216.576906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.576906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.627698 (E_RNA)
where:
Base-Base interactions energy: -152.090
where: short stacking energy: -63.759
Base-Backbone interact. energy: -0.294
local terms energy: -64.243073
where:
bonds (distance) C4'-P energy: -11.336
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -17.929
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: 138
Temperature: 1.000000
Total energy: -215.200464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.200464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.237888 (E_RNA)
where:
Base-Base interactions energy: -156.041
where: short stacking energy: -58.696
Base-Backbone interact. energy: -0.124
local terms energy: -59.072668
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -11.407
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -4.899
tors. eta vs tors. theta energy: -13.400
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: 138
Temperature: 1.050000
Total energy: -217.855790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.855790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.007392 (E_RNA)
where:
Base-Base interactions energy: -161.509
where: short stacking energy: -69.881
Base-Backbone interact. energy: -0.102
local terms energy: -56.396788
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -3.733
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -4.239
tors. eta vs tors. theta energy: -18.938
Dist. restrs. and SS energy: 0.152 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -212.043568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.043568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.338182 (E_RNA)
where:
Base-Base interactions energy: -148.229
where: short stacking energy: -63.959
Base-Backbone interact. energy: 0.043
local terms energy: -64.151402
where:
bonds (distance) C4'-P energy: -13.911
bonds (distance) P-C4' energy: -10.365
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -16.102
Dist. restrs. and SS energy: 0.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -206.449139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.449139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.460478 (E_RNA)
where:
Base-Base interactions energy: -147.214
where: short stacking energy: -58.357
Base-Backbone interact. energy: -0.004
local terms energy: -59.242083
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -5.320
tors. eta vs tors. theta energy: -14.453
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: 3
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -194.443285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.443285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.492199 (E_RNA)
where:
Base-Base interactions energy: -133.298
where: short stacking energy: -54.386
Base-Backbone interact. energy: -0.040
local terms energy: -61.153910
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -10.768
flat angles C4'-P-C4' energy: -14.107
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: -16.947
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: 7
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -196.421185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.421185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.583197 (E_RNA)
where:
Base-Base interactions energy: -136.860
where: short stacking energy: -52.874
Base-Backbone interact. energy: -0.003
local terms energy: -59.720703
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -12.232
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -6.152
tors. eta vs tors. theta energy: -14.914
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: 4
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -182.789547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.789547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.430585 (E_RNA)
where:
Base-Base interactions energy: -139.552
where: short stacking energy: -59.133
Base-Backbone interact. energy: -0.159
local terms energy: -51.719296
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -8.204
flat angles C4'-P-C4' energy: -10.983
flat angles P-C4'-P energy: -6.850
tors. eta vs tors. theta energy: -15.144
Dist. restrs. and SS energy: 8.641 (S_DIST_RNA)
chem. 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: -164.785882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.785882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.330480 (E_RNA)
where:
Base-Base interactions energy: -121.910
where: short stacking energy: -45.303
Base-Backbone interact. energy: -0.522
local terms energy: -49.897775
where:
bonds (distance) C4'-P energy: -9.408
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -7.574
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -12.885
Dist. restrs. and SS energy: 7.545 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -234.239101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.239101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.419319 (E_RNA)
where:
Base-Base interactions energy: -169.615
where: short stacking energy: -69.817
Base-Backbone interact. energy: -0.128
local terms energy: -64.676573
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -17.281
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: 2, replica: 8
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -217.629986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.629986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.718333 (E_RNA)
where:
Base-Base interactions energy: -148.863
where: short stacking energy: -65.507
Base-Backbone interact. energy: -0.003
local terms energy: -68.852519
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -14.379
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -15.804
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -214.482457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.482457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.528950 (E_RNA)
where:
Base-Base interactions energy: -148.855
where: short stacking energy: -62.772
Base-Backbone interact. energy: -0.003
local terms energy: -65.671119
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -12.736
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -17.160
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -206.234027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.234027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.337305 (E_RNA)
where:
Base-Base interactions energy: -146.554
where: short stacking energy: -59.835
Base-Backbone interact. energy: -0.331
local terms energy: -59.452177
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -10.409
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -15.596
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -205.107664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.107664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.154582 (E_RNA)
where:
Base-Base interactions energy: -144.018
where: short stacking energy: -52.970
Base-Backbone interact. energy: -0.105
local terms energy: -61.031645
where:
bonds (distance) C4'-P energy: -9.839
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -13.171
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: 3
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -203.279697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.279697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.381658 (E_RNA)
where:
Base-Base interactions energy: -141.898
where: short stacking energy: -61.190
Base-Backbone interact. energy: -0.008
local terms energy: -61.476153
where:
bonds (distance) C4'-P energy: -9.039
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -15.906
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -208.103070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.103070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.281007 (E_RNA)
where:
Base-Base interactions energy: -143.886
where: short stacking energy: -59.038
Base-Backbone interact. energy: 0.058
local terms energy: -64.452675
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -12.190
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -14.932
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: 4
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -186.352663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.352663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.788135 (E_RNA)
where:
Base-Base interactions energy: -135.672
where: short stacking energy: -59.660
Base-Backbone interact. energy: -0.027
local terms energy: -59.088665
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -10.633
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: -15.177
Dist. restrs. and SS energy: 8.435 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -194.121081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.121081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.140269 (E_RNA)
where:
Base-Base interactions energy: -132.464
where: short stacking energy: -56.271
Base-Backbone interact. energy: -0.007
local terms energy: -61.669526
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -12.281
flat angles C4'-P-C4' energy: -11.251
flat angles P-C4'-P energy: -5.940
tors. eta vs tors. theta energy: -17.701
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: 139
Temperature: 1.350000
Total energy: -174.927877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.927877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.589709 (E_RNA)
where:
Base-Base interactions energy: -123.652
where: short stacking energy: -51.092
Base-Backbone interact. energy: -0.089
local terms energy: -58.848846
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -12.276
Dist. restrs. and SS energy: 7.662 (S_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: -231.291450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.291450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.328606 (E_RNA)
where:
Base-Base interactions energy: -165.305
where: short stacking energy: -63.577
Base-Backbone interact. energy: -0.149
local terms energy: -65.874655
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -7.268
tors. eta vs tors. theta energy: -14.978
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -224.286413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.286413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.286413 (E_RNA)
where:
Base-Base interactions energy: -154.516
where: short stacking energy: -55.933
Base-Backbone interact. energy: 0.585
local terms energy: -70.355422
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -14.116
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -214.399525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.399525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.537104 (E_RNA)
where:
Base-Base interactions energy: -151.438
where: short stacking energy: -64.658
Base-Backbone interact. energy: -0.002
local terms energy: -63.097048
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -12.934
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -15.619
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -215.800095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.800095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.859187 (E_RNA)
where:
Base-Base interactions energy: -159.774
where: short stacking energy: -62.778
Base-Backbone interact. energy: -0.010
local terms energy: -56.075872
where:
bonds (distance) C4'-P energy: -8.853
bonds (distance) P-C4' energy: -10.079
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -16.800
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -203.351431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.351431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.361680 (E_RNA)
where:
Base-Base interactions energy: -147.027
where: short stacking energy: -55.352
Base-Backbone interact. energy: 0.205
local terms energy: -56.539807
where:
bonds (distance) C4'-P energy: -9.030
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -12.234
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: -14.835
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -202.542520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.542520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.770222 (E_RNA)
where:
Base-Base interactions energy: -140.258
where: short stacking energy: -56.746
Base-Backbone interact. energy: -0.003
local terms energy: -62.508671
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -11.869
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -13.564
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: 6
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -222.308091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.308091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.359646 (E_RNA)
where:
Base-Base interactions energy: -157.556
where: short stacking energy: -66.029
Base-Backbone interact. energy: -0.158
local terms energy: -64.644752
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -6.209
tors. eta vs tors. theta energy: -15.760
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -186.275092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.275092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.608127 (E_RNA)
where:
Base-Base interactions energy: -131.768
where: short stacking energy: -56.822
Base-Backbone interact. energy: -1.236
local terms energy: -60.604521
where:
bonds (distance) C4'-P energy: -9.619
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -14.287
Dist. restrs. and SS energy: 7.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -175.469021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.469021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.454630 (E_RNA)
where:
Base-Base interactions energy: -125.896
where: short stacking energy: -55.282
Base-Backbone interact. energy: -0.077
local terms energy: -58.481428
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -10.479
flat angles C4'-P-C4' energy: -11.862
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -14.596
Dist. restrs. and SS energy: 8.986 (S_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: 140
Temperature: 1.350000
Total energy: -201.416102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.416102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.461012 (E_RNA)
where:
Base-Base interactions energy: -146.018
where: short stacking energy: -60.529
Base-Backbone interact. energy: -0.004
local terms energy: -55.438554
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -6.182
flat angles C4'-P-C4' energy: -10.366
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -15.704
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -221.897009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.897009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.927526 (E_RNA)
where:
Base-Base interactions energy: -153.071
where: short stacking energy: -67.458
Base-Backbone interact. energy: 0.774
local terms energy: -69.630248
where:
bonds (distance) C4'-P energy: -13.890
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -18.491
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -214.486434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.486434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.522000 (E_RNA)
where:
Base-Base interactions energy: -151.758
where: short stacking energy: -65.092
Base-Backbone interact. energy: 0.543
local terms energy: -63.307648
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -11.218
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -15.073
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -214.482293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.482293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.519768 (E_RNA)
where:
Base-Base interactions energy: -149.454
where: short stacking energy: -58.683
Base-Backbone interact. energy: -0.001
local terms energy: -65.064286
where:
bonds (distance) C4'-P energy: -9.689
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -16.285
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -221.406182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.406182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.406182 (E_RNA)
where:
Base-Base interactions energy: -160.534
where: short stacking energy: -62.802
Base-Backbone interact. energy: -0.016
local terms energy: -60.855460
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -10.870
flat angles P-C4'-P energy: -6.384
tors. eta vs tors. theta energy: -15.309
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -208.069611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.069611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.115249 (E_RNA)
where:
Base-Base interactions energy: -148.259
where: short stacking energy: -60.416
Base-Backbone interact. energy: -0.023
local terms energy: -59.833523
where:
bonds (distance) C4'-P energy: -10.494
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -11.455
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -17.324
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -206.807726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.807726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.906623 (E_RNA)
where:
Base-Base interactions energy: -143.010
where: short stacking energy: -58.549
Base-Backbone interact. energy: -0.031
local terms energy: -63.865282
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -15.085
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -215.252311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.252311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.360320 (E_RNA)
where:
Base-Base interactions energy: -160.438
where: short stacking energy: -60.652
Base-Backbone interact. energy: -0.116
local terms energy: -54.806792
where:
bonds (distance) C4'-P energy: -9.476
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -11.990
flat angles P-C4'-P energy: -4.515
tors. eta vs tors. theta energy: -15.314
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: 4
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -180.156583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.156583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.236690 (E_RNA)
where:
Base-Base interactions energy: -131.794
where: short stacking energy: -56.930
Base-Backbone interact. energy: -0.031
local terms energy: -54.412152
where:
bonds (distance) C4'-P energy: -9.202
bonds (distance) P-C4' energy: -12.829
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -5.812
tors. eta vs tors. theta energy: -13.695
Dist. restrs. and SS energy: 6.080 (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: 141
Temperature: 1.300000
Total energy: -172.563060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.563060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.311202 (E_RNA)
where:
Base-Base interactions energy: -126.981
where: short stacking energy: -56.681
Base-Backbone interact. energy: -0.063
local terms energy: -53.267312
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -10.864
flat angles C4'-P-C4' energy: -11.640
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -10.964
Dist. restrs. and SS energy: 7.748 (S_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: 141
Temperature: 1.350000
Total energy: -193.412203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.412203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.451444 (E_RNA)
where:
Base-Base interactions energy: -133.523
where: short stacking energy: -52.828
Base-Backbone interact. energy: -0.215
local terms energy: -59.713381
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -10.519
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -13.532
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: 10
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -235.360071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.360071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.375908 (E_RNA)
where:
Base-Base interactions energy: -170.497
where: short stacking energy: -68.433
Base-Backbone interact. energy: -0.289
local terms energy: -64.589531
where:
bonds (distance) C4'-P energy: -9.341
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: -17.370
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: 2, replica: 8
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -217.431627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.431627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.557902 (E_RNA)
where:
Base-Base interactions energy: -151.174
where: short stacking energy: -63.262
Base-Backbone interact. energy: 0.106
local terms energy: -66.490250
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -14.122
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -16.825
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: 3, replica: 3
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -226.675096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.675096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.780738 (E_RNA)
where:
Base-Base interactions energy: -167.002
where: short stacking energy: -64.300
Base-Backbone interact. energy: -0.006
local terms energy: -59.773133
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -12.257
flat angles P-C4'-P energy: -5.771
tors. eta vs tors. theta energy: -14.478
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: 9
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -213.390357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.390357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.431144 (E_RNA)
where:
Base-Base interactions energy: -149.343
where: short stacking energy: -65.120
Base-Backbone interact. energy: -0.100
local terms energy: -63.987687
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -8.175
tors. eta vs tors. theta energy: -13.384
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: 6
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -201.903388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.903388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.905173 (E_RNA)
where:
Base-Base interactions energy: -140.490
where: short stacking energy: -57.962
Base-Backbone interact. energy: -0.099
local terms energy: -61.316455
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -14.408
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -199.525824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.525824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.612677 (E_RNA)
where:
Base-Base interactions energy: -146.251
where: short stacking energy: -61.274
Base-Backbone interact. energy: -0.008
local terms energy: -53.354334
where:
bonds (distance) C4'-P energy: -8.195
bonds (distance) P-C4' energy: -11.403
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -4.224
tors. eta vs tors. theta energy: -16.757
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -214.596661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.596661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.672801 (E_RNA)
where:
Base-Base interactions energy: -156.008
where: short stacking energy: -62.230
Base-Backbone interact. energy: -0.032
local terms energy: -58.632586
where:
bonds (distance) C4'-P energy: -8.282
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -16.137
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -189.899076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.899076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.020385 (E_RNA)
where:
Base-Base interactions energy: -139.911
where: short stacking energy: -55.880
Base-Backbone interact. energy: -0.264
local terms energy: -57.845619
where:
bonds (distance) C4'-P energy: -9.097
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -12.656
Dist. restrs. and SS energy: 8.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -196.788777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.788777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.872338 (E_RNA)
where:
Base-Base interactions energy: -138.649
where: short stacking energy: -55.991
Base-Backbone interact. energy: -0.017
local terms energy: -58.205801
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -7.050
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -13.518
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -175.945251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.945251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.962394 (E_RNA)
where:
Base-Base interactions energy: -130.755
where: short stacking energy: -54.581
Base-Backbone interact. energy: -0.028
local terms energy: -53.178786
where:
bonds (distance) C4'-P energy: -9.075
bonds (distance) P-C4' energy: -9.496
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -7.056
tors. eta vs tors. theta energy: -12.527
Dist. restrs. and SS energy: 8.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -236.647277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.647277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.695660 (E_RNA)
where:
Base-Base interactions energy: -173.609
where: short stacking energy: -72.566
Base-Backbone interact. energy: -0.002
local terms energy: -63.085324
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -3.492
tors. eta vs tors. theta energy: -17.132
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -223.868687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.868687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.906772 (E_RNA)
where:
Base-Base interactions energy: -165.998
where: short stacking energy: -62.886
Base-Backbone interact. energy: 0.454
local terms energy: -58.362562
where:
bonds (distance) C4'-P energy: -10.683
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -12.980
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: 8
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -213.357152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.357152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.357152 (E_RNA)
where:
Base-Base interactions energy: -144.122
where: short stacking energy: -61.930
Base-Backbone interact. energy: -0.001
local terms energy: -69.233707
where:
bonds (distance) C4'-P energy: -11.082
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -16.517
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -212.555146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.555146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.638171 (E_RNA)
where:
Base-Base interactions energy: -152.251
where: short stacking energy: -64.364
Base-Backbone interact. energy: -0.000
local terms energy: -60.387190
where:
bonds (distance) C4'-P energy: -8.439
bonds (distance) P-C4' energy: -8.512
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -15.990
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: 6
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -209.526544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.526544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.625603 (E_RNA)
where:
Base-Base interactions energy: -147.959
where: short stacking energy: -58.971
Base-Backbone interact. energy: -0.018
local terms energy: -61.648947
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -12.604
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -208.570975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.570975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.600687 (E_RNA)
where:
Base-Base interactions energy: -154.619
where: short stacking energy: -57.724
Base-Backbone interact. energy: -0.072
local terms energy: -53.909200
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -11.046
flat angles P-C4'-P energy: -5.517
tors. eta vs tors. theta energy: -11.921
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -202.964388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.964388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.981902 (E_RNA)
where:
Base-Base interactions energy: -142.231
where: short stacking energy: -56.765
Base-Backbone interact. energy: -0.004
local terms energy: -60.747322
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -10.129
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -16.247
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: 143
Temperature: 1.250000
Total energy: -203.288989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.288989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.372325 (E_RNA)
where:
Base-Base interactions energy: -149.426
where: short stacking energy: -59.041
Base-Backbone interact. energy: -0.014
local terms energy: -53.932587
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -10.506
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -3.214
tors. eta vs tors. theta energy: -13.749
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -165.610626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.610626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.808526 (E_RNA)
where:
Base-Base interactions energy: -116.797
where: short stacking energy: -49.121
Base-Backbone interact. energy: -0.056
local terms energy: -56.956068
where:
bonds (distance) C4'-P energy: -11.021
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -7.975
Dist. restrs. and SS energy: 8.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -174.985033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.985033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.525926 (E_RNA)
where:
Base-Base interactions energy: -127.879
where: short stacking energy: -53.768
Base-Backbone interact. energy: -0.994
local terms energy: -54.652178
where:
bonds (distance) C4'-P energy: -9.001
bonds (distance) P-C4' energy: -9.096
flat angles C4'-P-C4' energy: -11.892
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -14.842
Dist. restrs. and SS energy: 8.541 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -209.362838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.362838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.362838 (E_RNA)
where:
Base-Base interactions energy: -142.711
where: short stacking energy: -56.077
Base-Backbone interact. energy: -0.002
local terms energy: -66.649303
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -8.159
tors. eta vs tors. theta energy: -17.587
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -229.869315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.869315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.869315 (E_RNA)
where:
Base-Base interactions energy: -167.846
where: short stacking energy: -65.633
Base-Backbone interact. energy: -0.079
local terms energy: -61.945136
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: -17.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -214.721476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.721476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.851823 (E_RNA)
where:
Base-Base interactions energy: -155.184
where: short stacking energy: -64.356
Base-Backbone interact. energy: -0.030
local terms energy: -59.638143
where:
bonds (distance) C4'-P energy: -10.647
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -12.639
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -209.701637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.701637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.707887 (E_RNA)
where:
Base-Base interactions energy: -146.224
where: short stacking energy: -61.408
Base-Backbone interact. energy: -0.001
local terms energy: -63.482035
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -10.898
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -15.170
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -209.017754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.017754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.205853 (E_RNA)
where:
Base-Base interactions energy: -145.010
where: short stacking energy: -59.530
Base-Backbone interact. energy: -0.091
local terms energy: -64.104933
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -10.680
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -17.183
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: 6, replica: 6
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -211.848811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.848811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.192099 (E_RNA)
where:
Base-Base interactions energy: -146.883
where: short stacking energy: -60.118
Base-Backbone interact. energy: -0.239
local terms energy: -65.070381
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -16.925
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: 7, replica: 7
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -203.756925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.756925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.792771 (E_RNA)
where:
Base-Base interactions energy: -140.521
where: short stacking energy: -57.825
Base-Backbone interact. energy: -0.244
local terms energy: -63.027570
where:
bonds (distance) C4'-P energy: -9.340
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -13.301
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -193.375563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.375563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.386438 (E_RNA)
where:
Base-Base interactions energy: -133.843
where: short stacking energy: -50.401
Base-Backbone interact. energy: -0.079
local terms energy: -59.464115
where:
bonds (distance) C4'-P energy: -7.214
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -14.720
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: 5
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -185.191283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.191283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.566955 (E_RNA)
where:
Base-Base interactions energy: -128.756
where: short stacking energy: -56.198
Base-Backbone interact. energy: -1.249
local terms energy: -62.562033
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -11.429
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -16.976
Dist. restrs. and SS energy: 7.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -172.574475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.574475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.267776 (E_RNA)
where:
Base-Base interactions energy: -127.173
where: short stacking energy: -55.052
Base-Backbone interact. energy: -0.327
local terms energy: -52.768416
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -10.753
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -4.154
tors. eta vs tors. theta energy: -11.239
Dist. restrs. and SS energy: 7.693 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -219.904017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.904017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.904017 (E_RNA)
where:
Base-Base interactions energy: -157.434
where: short stacking energy: -61.805
Base-Backbone interact. energy: -0.370
local terms energy: -62.099965
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -4.817
tors. eta vs tors. theta energy: -14.871
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -222.828362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.828362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.048734 (E_RNA)
where:
Base-Base interactions energy: -159.216
where: short stacking energy: -65.646
Base-Backbone interact. energy: -0.036
local terms energy: -63.796436
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -12.934
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -6.114
tors. eta vs tors. theta energy: -17.351
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: 145
Temperature: 1.000000
Total energy: -216.889201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.889201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.001936 (E_RNA)
where:
Base-Base interactions energy: -149.708
where: short stacking energy: -62.636
Base-Backbone interact. energy: -0.000
local terms energy: -67.294213
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -10.324
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -18.189
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -208.742898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.742898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.752197 (E_RNA)
where:
Base-Base interactions energy: -149.676
where: short stacking energy: -60.892
Base-Backbone interact. energy: -0.086
local terms energy: -58.989713
where:
bonds (distance) C4'-P energy: -10.798
bonds (distance) P-C4' energy: -10.840
flat angles C4'-P-C4' energy: -11.603
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -15.305
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: 5, replica: 9
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -215.978108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.978108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.053765 (E_RNA)
where:
Base-Base interactions energy: -150.140
where: short stacking energy: -65.969
Base-Backbone interact. energy: -0.002
local terms energy: -65.911213
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -10.720
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -15.516
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -197.035916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.035916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.048949 (E_RNA)
where:
Base-Base interactions energy: -135.597
where: short stacking energy: -49.353
Base-Backbone interact. energy: -0.013
local terms energy: -61.439202
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -11.369
flat angles C4'-P-C4' energy: -12.627
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -12.596
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: 145
Temperature: 1.200000
Total energy: -204.390158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.390158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.439951 (E_RNA)
where:
Base-Base interactions energy: -145.555
where: short stacking energy: -59.047
Base-Backbone interact. energy: -0.000
local terms energy: -58.884610
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -10.361
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -12.747
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: 5
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -180.276400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.276400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.554174 (E_RNA)
where:
Base-Base interactions energy: -136.916
where: short stacking energy: -53.750
Base-Backbone interact. energy: -0.275
local terms energy: -49.363254
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -9.174
flat angles C4'-P-C4' energy: -9.404
flat angles P-C4'-P energy: -7.455
tors. eta vs tors. theta energy: -12.974
Dist. restrs. and SS energy: 6.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -195.705713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.705713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.858593 (E_RNA)
where:
Base-Base interactions energy: -139.450
where: short stacking energy: -56.469
Base-Backbone interact. energy: 0.086
local terms energy: -56.495394
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -11.812
flat angles C4'-P-C4' energy: -11.548
flat angles P-C4'-P energy: -6.888
tors. eta vs tors. theta energy: -16.016
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: 4
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -175.416607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.416607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.467408 (E_RNA)
where:
Base-Base interactions energy: -125.803
where: short stacking energy: -53.206
Base-Backbone interact. energy: -0.018
local terms energy: -56.646055
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -6.745
flat angles C4'-P-C4' energy: -11.490
flat angles P-C4'-P energy: -9.010
tors. eta vs tors. theta energy: -15.998
Dist. restrs. and SS energy: 7.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -230.968251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.968251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.968251 (E_RNA)
where:
Base-Base interactions energy: -169.225
where: short stacking energy: -67.043
Base-Backbone interact. energy: -0.668
local terms energy: -61.075827
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -3.453
tors. eta vs tors. theta energy: -14.843
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -216.549111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.549111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.627333 (E_RNA)
where:
Base-Base interactions energy: -148.981
where: short stacking energy: -65.670
Base-Backbone interact. energy: -0.004
local terms energy: -67.642562
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -9.900
tors. eta vs tors. theta energy: -19.624
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: 10
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -214.767898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.767898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.937353 (E_RNA)
where:
Base-Base interactions energy: -148.573
where: short stacking energy: -63.662
Base-Backbone interact. energy: -0.175
local terms energy: -66.189543
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -10.879
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -13.635
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: 4, replica: 1
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -214.621633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.621633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.819451 (E_RNA)
where:
Base-Base interactions energy: -147.954
where: short stacking energy: -62.281
Base-Backbone interact. energy: 0.199
local terms energy: -67.064609
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -14.665
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: 9
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -208.737528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.737528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.758475 (E_RNA)
where:
Base-Base interactions energy: -148.262
where: short stacking energy: -60.024
Base-Backbone interact. energy: 1.014
local terms energy: -61.510291
where:
bonds (distance) C4'-P energy: -8.828
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -9.242
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -18.146
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -204.676511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.676511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.676511 (E_RNA)
where:
Base-Base interactions energy: -141.216
where: short stacking energy: -53.078
Base-Backbone interact. energy: -0.001
local terms energy: -63.459659
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -9.654
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -14.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -199.248183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.248183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.306972 (E_RNA)
where:
Base-Base interactions energy: -148.905
where: short stacking energy: -52.843
Base-Backbone interact. energy: -0.054
local terms energy: -50.347946
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -10.580
flat angles C4'-P-C4' energy: -10.225
flat angles P-C4'-P energy: -4.843
tors. eta vs tors. theta energy: -13.068
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -182.099631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.099631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.470981 (E_RNA)
where:
Base-Base interactions energy: -132.093
where: short stacking energy: -54.574
Base-Backbone interact. energy: -0.018
local terms energy: -57.360157
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -8.692
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -5.992
tors. eta vs tors. theta energy: -14.528
Dist. restrs. and SS energy: 7.371 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -194.037889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.037889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.528335 (E_RNA)
where:
Base-Base interactions energy: -135.940
where: short stacking energy: -55.715
Base-Backbone interact. energy: -0.302
local terms energy: -58.285651
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -11.431
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: -15.065
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: 10, replica: 4
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -179.998266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.998266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.065639 (E_RNA)
where:
Base-Base interactions energy: -130.327
where: short stacking energy: -52.662
Base-Backbone interact. energy: -0.008
local terms energy: -57.729887
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: -11.272
Dist. restrs. and SS energy: 8.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -234.112412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.112412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.190087 (E_RNA)
where:
Base-Base interactions energy: -171.027
where: short stacking energy: -68.116
Base-Backbone interact. energy: -1.043
local terms energy: -62.119796
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -4.726
tors. eta vs tors. theta energy: -15.340
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: 10
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -212.458361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.458361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.484753 (E_RNA)
where:
Base-Base interactions energy: -150.402
where: short stacking energy: -59.024
Base-Backbone interact. energy: -0.002
local terms energy: -62.080712
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -11.384
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: 147
Temperature: 1.000000
Total energy: -222.175691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.175691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.268040 (E_RNA)
where:
Base-Base interactions energy: -157.962
where: short stacking energy: -60.371
Base-Backbone interact. energy: -0.003
local terms energy: -64.302757
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -5.996
tors. eta vs tors. theta energy: -17.086
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -216.359109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.359109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.710170 (E_RNA)
where:
Base-Base interactions energy: -156.686
where: short stacking energy: -62.271
Base-Backbone interact. energy: -0.165
local terms energy: -59.859177
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -6.537
tors. eta vs tors. theta energy: -12.965
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: 5, replica: 9
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -208.921994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.921994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.122688 (E_RNA)
where:
Base-Base interactions energy: -142.191
where: short stacking energy: -60.268
Base-Backbone interact. energy: -0.724
local terms energy: -66.208038
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -14.189
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: -15.943
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: 6, replica: 7
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -205.640621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.640621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.749289 (E_RNA)
where:
Base-Base interactions energy: -152.270
where: short stacking energy: -61.145
Base-Backbone interact. energy: -0.002
local terms energy: -53.477609
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -10.365
flat angles C4'-P-C4' energy: -9.451
flat angles P-C4'-P energy: -2.826
tors. eta vs tors. theta energy: -16.233
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: 6
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -195.392673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.392673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.483007 (E_RNA)
where:
Base-Base interactions energy: -134.452
where: short stacking energy: -52.485
Base-Backbone interact. energy: -0.005
local terms energy: -61.025991
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -11.698
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -14.028
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: 2
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -199.775007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.775007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.917908 (E_RNA)
where:
Base-Base interactions energy: -139.078
where: short stacking energy: -61.240
Base-Backbone interact. energy: 0.754
local terms energy: -61.594577
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -12.801
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -173.227962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.227962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.796513 (E_RNA)
where:
Base-Base interactions energy: -121.796
where: short stacking energy: -55.394
Base-Backbone interact. energy: -0.087
local terms energy: -58.913903
where:
bonds (distance) C4'-P energy: -7.590
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -11.812
Dist. restrs. and SS energy: 7.569 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -170.339157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.339157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.964976 (E_RNA)
where:
Base-Base interactions energy: -121.994
where: short stacking energy: -50.355
Base-Backbone interact. energy: -1.896
local terms energy: -54.075189
where:
bonds (distance) C4'-P energy: -6.746
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -11.578
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -13.262
Dist. restrs. and SS energy: 7.626 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -234.672492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.672492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.707847 (E_RNA)
where:
Base-Base interactions energy: -167.103
where: short stacking energy: -66.488
Base-Backbone interact. energy: -0.001
local terms energy: -67.603789
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -12.852
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -6.772
tors. eta vs tors. theta energy: -19.160
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -214.397206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.397206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.397206 (E_RNA)
where:
Base-Base interactions energy: -153.370
where: short stacking energy: -55.391
Base-Backbone interact. energy: -0.047
local terms energy: -60.980136
where:
bonds (distance) C4'-P energy: -10.111
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -16.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -215.566034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.566034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.566034 (E_RNA)
where:
Base-Base interactions energy: -153.270
where: short stacking energy: -62.907
Base-Backbone interact. energy: -0.280
local terms energy: -62.016111
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -11.928
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -16.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -213.758005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.758005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.761281 (E_RNA)
where:
Base-Base interactions energy: -153.124
where: short stacking energy: -62.780
Base-Backbone interact. energy: -0.002
local terms energy: -60.634825
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -10.998
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: -16.603
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -211.200944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.200944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.248569 (E_RNA)
where:
Base-Base interactions energy: -146.212
where: short stacking energy: -60.915
Base-Backbone interact. energy: -0.000
local terms energy: -65.036613
where:
bonds (distance) C4'-P energy: -8.599
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -15.021
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -203.878620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.878620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.049386 (E_RNA)
where:
Base-Base interactions energy: -140.944
where: short stacking energy: -59.260
Base-Backbone interact. energy: 0.556
local terms energy: -63.661869
where:
bonds (distance) C4'-P energy: -9.304
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -15.897
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -205.476367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.476367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.558313 (E_RNA)
where:
Base-Base interactions energy: -140.974
where: short stacking energy: -61.594
Base-Backbone interact. energy: -0.625
local terms energy: -63.959096
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -10.790
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -16.755
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: 6
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -189.074752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.074752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.164919 (E_RNA)
where:
Base-Base interactions energy: -133.309
where: short stacking energy: -51.509
Base-Backbone interact. energy: -0.205
local terms energy: -55.650100
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -6.499
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -12.683
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -172.994300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.994300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.203751 (E_RNA)
where:
Base-Base interactions energy: -130.131
where: short stacking energy: -49.774
Base-Backbone interact. energy: -0.010
local terms energy: -49.062392
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -5.999
flat angles C4'-P-C4' energy: -11.438
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: -9.414
Dist. restrs. and SS energy: 6.209 (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: 5
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -177.537975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.537975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.217548 (E_RNA)
where:
Base-Base interactions energy: -130.601
where: short stacking energy: -50.926
Base-Backbone interact. energy: -0.217
local terms energy: -54.399577
where:
bonds (distance) C4'-P energy: -9.145
bonds (distance) P-C4' energy: -10.799
flat angles C4'-P-C4' energy: -11.147
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: -14.885
Dist. restrs. and SS energy: 7.680 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -233.442806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.442806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.460036 (E_RNA)
where:
Base-Base interactions energy: -170.322
where: short stacking energy: -67.552
Base-Backbone interact. energy: -0.542
local terms energy: -62.596109
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -3.707
tors. eta vs tors. theta energy: -15.622
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -224.104938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.104938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.104938 (E_RNA)
where:
Base-Base interactions energy: -173.156
where: short stacking energy: -71.459
Base-Backbone interact. energy: -0.005
local terms energy: -50.943869
where:
bonds (distance) C4'-P energy: -9.632
bonds (distance) P-C4' energy: -10.587
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -1.219
tors. eta vs tors. theta energy: -15.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -216.542941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.542941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.153669 (E_RNA)
where:
Base-Base interactions energy: -154.427
where: short stacking energy: -62.000
Base-Backbone interact. energy: -0.001
local terms energy: -62.725966
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -4.011
tors. eta vs tors. theta energy: -16.932
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: 4, replica: 8
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -213.213565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.213565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.223901 (E_RNA)
where:
Base-Base interactions energy: -149.420
where: short stacking energy: -63.346
Base-Backbone interact. energy: -0.007
local terms energy: -63.796154
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -17.216
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: 149
Temperature: 1.100000
Total energy: -208.579215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.579215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.600885 (E_RNA)
where:
Base-Base interactions energy: -156.565
where: short stacking energy: -60.370
Base-Backbone interact. energy: -0.066
local terms energy: -51.970535
where:
bonds (distance) C4'-P energy: -11.195
bonds (distance) P-C4' energy: -11.689
flat angles C4'-P-C4' energy: -10.158
flat angles P-C4'-P energy: -6.808
tors. eta vs tors. theta energy: -12.120
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: 149
Temperature: 1.150000
Total energy: -203.582638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.582638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.924831 (E_RNA)
where:
Base-Base interactions energy: -147.419
where: short stacking energy: -62.482
Base-Backbone interact. energy: -0.001
local terms energy: -56.504090
where:
bonds (distance) C4'-P energy: -5.740
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -12.972
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -15.266
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: 7, replica: 9
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -207.944910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.944910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.009336 (E_RNA)
where:
Base-Base interactions energy: -150.203
where: short stacking energy: -64.349
Base-Backbone interact. energy: -0.248
local terms energy: -57.558509
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -11.230
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -13.069
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: 6
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -199.783593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.783593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.834465 (E_RNA)
where:
Base-Base interactions energy: -149.134
where: short stacking energy: -63.556
Base-Backbone interact. energy: -0.002
local terms energy: -50.698268
where:
bonds (distance) C4'-P energy: -8.207
bonds (distance) P-C4' energy: -9.127
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -3.108
tors. eta vs tors. theta energy: -18.333
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: 149
Temperature: 1.300000
Total energy: -177.221400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.221400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.626601 (E_RNA)
where:
Base-Base interactions energy: -124.768
where: short stacking energy: -52.702
Base-Backbone interact. energy: -0.028
local terms energy: -59.830424
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -10.517
flat angles C4'-P-C4' energy: -11.515
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -14.782
Dist. restrs. and SS energy: 7.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -177.654891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.654891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.922909 (E_RNA)
where:
Base-Base interactions energy: -135.459
where: short stacking energy: -52.377
Base-Backbone interact. energy: -0.597
local terms energy: -49.866475
where:
bonds (distance) C4'-P energy: -4.721
bonds (distance) P-C4' energy: -11.226
flat angles C4'-P-C4' energy: -12.341
flat angles P-C4'-P energy: -5.847
tors. eta vs tors. theta energy: -15.731
Dist. restrs. and SS energy: 8.268 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -233.765745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.765745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.765745 (E_RNA)
where:
Base-Base interactions energy: -171.062
where: short stacking energy: -68.207
Base-Backbone interact. energy: -0.012
local terms energy: -62.691886
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -6.135
tors. eta vs tors. theta energy: -16.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -236.315644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.315644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.315644 (E_RNA)
where:
Base-Base interactions energy: -173.904
where: short stacking energy: -70.691
Base-Backbone interact. energy: -0.037
local terms energy: -62.374870
where:
bonds (distance) C4'-P energy: -9.453
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -11.800
flat angles P-C4'-P energy: -6.308
tors. eta vs tors. theta energy: -18.844
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -215.061784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.061784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.061784 (E_RNA)
where:
Base-Base interactions energy: -147.369
where: short stacking energy: -64.827
Base-Backbone interact. energy: -0.011
local terms energy: -67.681422
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -18.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -212.823842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.823842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.899578 (E_RNA)
where:
Base-Base interactions energy: -160.035
where: short stacking energy: -67.550
Base-Backbone interact. energy: -0.241
local terms energy: -52.623706
where:
bonds (distance) C4'-P energy: -9.876
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -0.660
tors. eta vs tors. theta energy: -17.432
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: 150
Temperature: 1.100000
Total energy: -213.029659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.029659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.029659 (E_RNA)
where:
Base-Base interactions energy: -159.018
where: short stacking energy: -60.989
Base-Backbone interact. energy: -0.012
local terms energy: -54.000239
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -9.700
flat angles C4'-P-C4' energy: -9.151
flat angles P-C4'-P energy: -6.075
tors. eta vs tors. theta energy: -14.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -202.842854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.842854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.879281 (E_RNA)
where:
Base-Base interactions energy: -150.689
where: short stacking energy: -59.652
Base-Backbone interact. energy: -0.161
local terms energy: -52.029485
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -7.805
flat angles C4'-P-C4' energy: -11.728
flat angles P-C4'-P energy: -4.113
tors. eta vs tors. theta energy: -15.810
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -196.393965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.393965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.498991 (E_RNA)
where:
Base-Base interactions energy: -126.692
where: short stacking energy: -48.155
Base-Backbone interact. energy: -0.420
local terms energy: -69.386574
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -16.914
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -197.236499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.236499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.311144 (E_RNA)
where:
Base-Base interactions energy: -142.396
where: short stacking energy: -59.690
Base-Backbone interact. energy: -0.636
local terms energy: -54.279200
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -9.395
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -12.320
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: 150
Temperature: 1.300000
Total energy: -182.016150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.016150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.296213 (E_RNA)
where:
Base-Base interactions energy: -132.761
where: short stacking energy: -56.865
Base-Backbone interact. energy: -0.911
local terms energy: -55.624542
where:
bonds (distance) C4'-P energy: -8.199
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -11.058
flat angles P-C4'-P energy: -5.976
tors. eta vs tors. theta energy: -15.742
Dist. restrs. and SS energy: 7.280 (S_DIST_RNA)
chem. 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: -172.589663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.589663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.852574 (E_RNA)
where:
Base-Base interactions energy: -130.155
where: short stacking energy: -47.167
Base-Backbone interact. energy: -0.762
local terms energy: -49.936064
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -10.545
flat angles C4'-P-C4' energy: -8.888
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -11.263
Dist. restrs. and SS energy: 8.263 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -242.161365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.161365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.196820 (E_RNA)
where:
Base-Base interactions energy: -180.998
where: short stacking energy: -76.350
Base-Backbone interact. energy: -0.629
local terms energy: -60.570177
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -3.267
tors. eta vs tors. theta energy: -16.490
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -230.982040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.982040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.122967 (E_RNA)
where:
Base-Base interactions energy: -168.506
where: short stacking energy: -70.366
Base-Backbone interact. energy: -0.659
local terms energy: -61.958214
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -11.960
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -6.976
tors. eta vs tors. theta energy: -17.553
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -214.696528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.696528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.808231 (E_RNA)
where:
Base-Base interactions energy: -149.481
where: short stacking energy: -65.514
Base-Backbone interact. energy: -0.010
local terms energy: -65.316951
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -18.509
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: 7
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -204.834506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.834506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.875390 (E_RNA)
where:
Base-Base interactions energy: -147.267
where: short stacking energy: -56.178
Base-Backbone interact. energy: -0.030
local terms energy: -57.578497
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -10.504
tors. eta vs tors. theta energy: -11.988
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: 151
Temperature: 1.100000
Total energy: -208.664492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.664492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.701028 (E_RNA)
where:
Base-Base interactions energy: -141.986
where: short stacking energy: -60.248
Base-Backbone interact. energy: -0.006
local terms energy: -66.709312
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -17.373
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -203.191367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.191367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.403946 (E_RNA)
where:
Base-Base interactions energy: -139.465
where: short stacking energy: -56.452
Base-Backbone interact. energy: 0.460
local terms energy: -64.399193
where:
bonds (distance) C4'-P energy: -12.060
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -7.131
tors. eta vs tors. theta energy: -17.842
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: 7, replica: 2
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -207.431919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.431919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.460065 (E_RNA)
where:
Base-Base interactions energy: -144.220
where: short stacking energy: -61.249
Base-Backbone interact. energy: -0.238
local terms energy: -63.001305
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -15.816
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -183.032550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.032550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.909140 (E_RNA)
where:
Base-Base interactions energy: -130.636
where: short stacking energy: -53.116
Base-Backbone interact. energy: -0.108
local terms energy: -59.164831
where:
bonds (distance) C4'-P energy: -9.407
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -6.816
tors. eta vs tors. theta energy: -13.398
Dist. restrs. and SS energy: 6.877 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -208.359362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.359362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.525807 (E_RNA)
where:
Base-Base interactions energy: -143.383
where: short stacking energy: -63.610
Base-Backbone interact. energy: -0.002
local terms energy: -65.141091
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -5.273
tors. eta vs tors. theta energy: -18.216
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -172.032424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.032424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.645433 (E_RNA)
where:
Base-Base interactions energy: -125.043
where: short stacking energy: -52.185
Base-Backbone interact. energy: -0.003
local terms energy: -54.599585
where:
bonds (distance) C4'-P energy: -8.098
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -6.656
tors. eta vs tors. theta energy: -14.542
Dist. restrs. and SS energy: 7.613 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -237.118937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.118937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.161950 (E_RNA)
where:
Base-Base interactions energy: -171.718
where: short stacking energy: -67.739
Base-Backbone interact. energy: -0.010
local terms energy: -65.432993
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -14.885
flat angles P-C4'-P energy: -5.883
tors. eta vs tors. theta energy: -18.000
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: 1
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -231.122278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.122278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.168711 (E_RNA)
where:
Base-Base interactions energy: -174.295
where: short stacking energy: -65.060
Base-Backbone interact. energy: -0.485
local terms energy: -56.388678
where:
bonds (distance) C4'-P energy: -10.190
bonds (distance) P-C4' energy: -14.374
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -2.594
tors. eta vs tors. theta energy: -14.795
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: 152
Temperature: 1.000000
Total energy: -219.581582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.581582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.592238 (E_RNA)
where:
Base-Base interactions energy: -157.892
where: short stacking energy: -60.434
Base-Backbone interact. energy: -0.005
local terms energy: -61.695546
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -2.411
tors. eta vs tors. theta energy: -16.686
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -209.630602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.630602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.644467 (E_RNA)
where:
Base-Base interactions energy: -145.045
where: short stacking energy: -62.909
Base-Backbone interact. energy: -0.240
local terms energy: -64.359079
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -18.790
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -216.058395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.058395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.129092 (E_RNA)
where:
Base-Base interactions energy: -155.561
where: short stacking energy: -61.712
Base-Backbone interact. energy: -0.315
local terms energy: -60.253146
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -10.533
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -6.705
tors. eta vs tors. theta energy: -16.681
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -200.989121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.989121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.075536 (E_RNA)
where:
Base-Base interactions energy: -141.547
where: short stacking energy: -61.156
Base-Backbone interact. energy: -0.026
local terms energy: -59.503033
where:
bonds (distance) C4'-P energy: -8.054
bonds (distance) P-C4' energy: -13.524
flat angles C4'-P-C4' energy: -13.231
flat angles P-C4'-P energy: -9.409
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: 7, replica: 4
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -193.285311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.285311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.498341 (E_RNA)
where:
Base-Base interactions energy: -139.301
where: short stacking energy: -59.509
Base-Backbone interact. energy: -0.808
local terms energy: -60.390057
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -11.695
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -15.517
Dist. restrs. and SS energy: 7.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -210.136961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.136961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.212111 (E_RNA)
where:
Base-Base interactions energy: -155.871
where: short stacking energy: -62.757
Base-Backbone interact. energy: -0.310
local terms energy: -54.031369
where:
bonds (distance) C4'-P energy: -9.810
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -10.564
flat angles P-C4'-P energy: -4.685
tors. eta vs tors. theta energy: -16.733
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -181.191895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.191895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.830357 (E_RNA)
where:
Base-Base interactions energy: -133.406
where: short stacking energy: -56.000
Base-Backbone interact. energy: -0.042
local terms energy: -54.382908
where:
bonds (distance) C4'-P energy: -6.097
bonds (distance) P-C4' energy: -10.098
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -15.807
Dist. restrs. and SS energy: 6.638 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -195.977058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.977058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.024974 (E_RNA)
where:
Base-Base interactions energy: -135.672
where: short stacking energy: -51.920
Base-Backbone interact. energy: -0.080
local terms energy: -60.272509
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -12.035
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -234.437173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.437173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.457783 (E_RNA)
where:
Base-Base interactions energy: -172.781
where: short stacking energy: -66.726
Base-Backbone interact. energy: -0.369
local terms energy: -61.308598
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -6.236
tors. eta vs tors. theta energy: -15.521
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -230.174690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.174690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.217557 (E_RNA)
where:
Base-Base interactions energy: -166.746
where: short stacking energy: -69.753
Base-Backbone interact. energy: -0.004
local terms energy: -63.467361
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -14.460
flat angles P-C4'-P energy: -6.089
tors. eta vs tors. theta energy: -15.796
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -223.510147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.510147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.510147 (E_RNA)
where:
Base-Base interactions energy: -164.842
where: short stacking energy: -61.593
Base-Backbone interact. energy: -0.066
local terms energy: -58.601745
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -9.469
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -6.589
tors. eta vs tors. theta energy: -15.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -211.264982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.264982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.264982 (E_RNA)
where:
Base-Base interactions energy: -143.468
where: short stacking energy: -60.992
Base-Backbone interact. energy: 0.669
local terms energy: -68.465472
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -15.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -209.045217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.045217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.097119 (E_RNA)
where:
Base-Base interactions energy: -146.508
where: short stacking energy: -62.601
Base-Backbone interact. energy: -0.315
local terms energy: -62.274239
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -13.801
flat angles C4'-P-C4' energy: -11.995
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -14.850
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: 8
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -208.721742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.721742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.854198 (E_RNA)
where:
Base-Base interactions energy: -142.877
where: short stacking energy: -60.039
Base-Backbone interact. energy: -0.397
local terms energy: -65.580607
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -7.328
tors. eta vs tors. theta energy: -15.089
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: 4
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -196.352389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.352389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.992453 (E_RNA)
where:
Base-Base interactions energy: -144.172
where: short stacking energy: -58.198
Base-Backbone interact. energy: -0.432
local terms energy: -59.388076
where:
bonds (distance) C4'-P energy: -9.536
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -11.705
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -16.536
Dist. restrs. and SS energy: 7.640 (S_DIST_RNA)
chem. 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: -178.344711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.344711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.272749 (E_RNA)
where:
Base-Base interactions energy: -125.473
where: short stacking energy: -60.579
Base-Backbone interact. energy: -0.887
local terms energy: -59.913313
where:
bonds (distance) C4'-P energy: -10.224
bonds (distance) P-C4' energy: -10.587
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -16.359
Dist. restrs. and SS energy: 7.928 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -211.345647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.345647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.439832 (E_RNA)
where:
Base-Base interactions energy: -154.908
where: short stacking energy: -58.700
Base-Backbone interact. energy: -0.049
local terms energy: -56.482321
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -9.691
flat angles P-C4'-P energy: -5.052
tors. eta vs tors. theta energy: -14.207
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: 9
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -198.300803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.300803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.337427 (E_RNA)
where:
Base-Base interactions energy: -137.652
where: short stacking energy: -54.556
Base-Backbone interact. energy: -0.038
local terms energy: -60.647336
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -10.841
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -14.190
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: 3
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -233.701988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.701988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.760643 (E_RNA)
where:
Base-Base interactions energy: -172.762
where: short stacking energy: -69.547
Base-Backbone interact. energy: -0.100
local terms energy: -60.898201
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -9.526
flat angles P-C4'-P energy: -6.298
tors. eta vs tors. theta energy: -18.776
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -219.368801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.368801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.377113 (E_RNA)
where:
Base-Base interactions energy: -150.926
where: short stacking energy: -60.194
Base-Backbone interact. energy: -0.177
local terms energy: -68.273968
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -12.517
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -15.709
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -216.123560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.123560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.159483 (E_RNA)
where:
Base-Base interactions energy: -152.372
where: short stacking energy: -61.077
Base-Backbone interact. energy: 0.391
local terms energy: -64.178359
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -11.720
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -12.327
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -224.500946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.500946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.547970 (E_RNA)
where:
Base-Base interactions energy: -164.745
where: short stacking energy: -66.958
Base-Backbone interact. energy: -0.003
local terms energy: -59.800072
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -16.031
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -3.417
tors. eta vs tors. theta energy: -14.457
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: 154
Temperature: 1.100000
Total energy: -207.945517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.945517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.121766 (E_RNA)
where:
Base-Base interactions energy: -146.810
where: short stacking energy: -58.829
Base-Backbone interact. energy: -0.096
local terms energy: -61.215555
where:
bonds (distance) C4'-P energy: -7.888
bonds (distance) P-C4' energy: -11.772
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -14.876
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: 10
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -204.705691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.705691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.756928 (E_RNA)
where:
Base-Base interactions energy: -142.826
where: short stacking energy: -57.042
Base-Backbone interact. energy: -0.916
local terms energy: -61.015250
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -9.877
flat angles C4'-P-C4' energy: -16.077
flat angles P-C4'-P energy: -6.350
tors. eta vs tors. theta energy: -15.964
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -191.998519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.998519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.310460 (E_RNA)
where:
Base-Base interactions energy: -138.982
where: short stacking energy: -51.663
Base-Backbone interact. energy: -0.045
local terms energy: -60.283600
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -13.714
Dist. restrs. and SS energy: 7.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -181.875350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.875350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.373868 (E_RNA)
where:
Base-Base interactions energy: -132.431
where: short stacking energy: -51.006
Base-Backbone interact. energy: -1.134
local terms energy: -55.808215
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -11.413
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -2.893
tors. eta vs tors. theta energy: -16.706
Dist. restrs. and SS energy: 7.499 (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: 9
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -192.361332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.361332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.493785 (E_RNA)
where:
Base-Base interactions energy: -127.019
where: short stacking energy: -46.908
Base-Backbone interact. energy: -0.141
local terms energy: -65.334639
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -13.835
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: 2
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -205.287028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.287028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.343920 (E_RNA)
where:
Base-Base interactions energy: -148.817
where: short stacking energy: -58.141
Base-Backbone interact. energy: -0.056
local terms energy: -56.470108
where:
bonds (distance) C4'-P energy: -8.324
bonds (distance) P-C4' energy: -12.158
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: -13.612
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: 155
Temperature: 0.900000
Total energy: -236.177408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.177408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.214554 (E_RNA)
where:
Base-Base interactions energy: -172.734
where: short stacking energy: -70.257
Base-Backbone interact. energy: -0.054
local terms energy: -63.426235
where:
bonds (distance) C4'-P energy: -11.824
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -6.587
tors. eta vs tors. theta energy: -16.307
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -229.515134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.515134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.532363 (E_RNA)
where:
Base-Base interactions energy: -154.975
where: short stacking energy: -61.735
Base-Backbone interact. energy: -0.001
local terms energy: -74.556979
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -15.340
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -217.949915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.949915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.049561 (E_RNA)
where:
Base-Base interactions energy: -158.761
where: short stacking energy: -62.391
Base-Backbone interact. energy: -0.000
local terms energy: -59.288147
where:
bonds (distance) C4'-P energy: -10.087
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -4.780
tors. eta vs tors. theta energy: -16.666
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: 8
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -219.149010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.149010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.243410 (E_RNA)
where:
Base-Base interactions energy: -160.645
where: short stacking energy: -62.581
Base-Backbone interact. energy: -0.179
local terms energy: -58.419360
where:
bonds (distance) C4'-P energy: -8.554
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -6.606
tors. eta vs tors. theta energy: -14.045
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: 5, replica: 1
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -215.881724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.881724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.048283 (E_RNA)
where:
Base-Base interactions energy: -159.536
where: short stacking energy: -61.605
Base-Backbone interact. energy: -0.148
local terms energy: -56.364432
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -4.243
tors. eta vs tors. theta energy: -12.260
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: 10
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -201.869274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.869274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.004205 (E_RNA)
where:
Base-Base interactions energy: -145.230
where: short stacking energy: -61.075
Base-Backbone interact. energy: -0.052
local terms energy: -56.721759
where:
bonds (distance) C4'-P energy: -9.284
bonds (distance) P-C4' energy: -11.043
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -8.578
tors. eta vs tors. theta energy: -15.802
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: 5
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -188.206111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.206111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.224756 (E_RNA)
where:
Base-Base interactions energy: -138.857
where: short stacking energy: -58.537
Base-Backbone interact. energy: -0.717
local terms energy: -56.650740
where:
bonds (distance) C4'-P energy: -8.178
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -6.224
tors. eta vs tors. theta energy: -14.000
Dist. restrs. and SS energy: 8.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -195.836292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.836292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.942551 (E_RNA)
where:
Base-Base interactions energy: -140.325
where: short stacking energy: -57.098
Base-Backbone interact. energy: -0.006
local terms energy: -55.611675
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -10.675
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: -12.575
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -175.665359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.665359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.592328 (E_RNA)
where:
Base-Base interactions energy: -121.126
where: short stacking energy: -54.440
Base-Backbone interact. energy: -0.224
local terms energy: -61.242562
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -10.482
Dist. restrs. and SS energy: 6.927 (S_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: 155
Temperature: 1.350000
Total energy: -192.885675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.885675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.927587 (E_RNA)
where:
Base-Base interactions energy: -135.548
where: short stacking energy: -52.369
Base-Backbone interact. energy: -0.006
local terms energy: -57.373220
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -2.856
tors. eta vs tors. theta energy: -13.155
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: 156
Temperature: 0.900000
Total energy: -235.831173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.831173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.833730 (E_RNA)
where:
Base-Base interactions energy: -168.630
where: short stacking energy: -66.548
Base-Backbone interact. energy: -1.174
local terms energy: -66.029507
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -15.181
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -222.422212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.422212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.456609 (E_RNA)
where:
Base-Base interactions energy: -152.502
where: short stacking energy: -68.550
Base-Backbone interact. energy: -0.047
local terms energy: -69.907795
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: -17.929
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -213.769264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.769264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.786709 (E_RNA)
where:
Base-Base interactions energy: -149.290
where: short stacking energy: -60.198
Base-Backbone interact. energy: -0.021
local terms energy: -64.476643
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: -16.085
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -220.121158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.121158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.121158 (E_RNA)
where:
Base-Base interactions energy: -153.516
where: short stacking energy: -66.099
Base-Backbone interact. energy: -0.003
local terms energy: -66.602173
where:
bonds (distance) C4'-P energy: -10.789
bonds (distance) P-C4' energy: -12.599
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -17.035
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: 5, replica: 10
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -206.180405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.180405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.319625 (E_RNA)
where:
Base-Base interactions energy: -145.359
where: short stacking energy: -60.438
Base-Backbone interact. energy: -0.353
local terms energy: -60.607424
where:
bonds (distance) C4'-P energy: -9.670
bonds (distance) P-C4' energy: -10.913
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -16.295
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -201.548224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.548224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.715920 (E_RNA)
where:
Base-Base interactions energy: -140.446
where: short stacking energy: -54.099
Base-Backbone interact. energy: -0.121
local terms energy: -61.149438
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -10.969
tors. eta vs tors. theta energy: -11.699
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: 5
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -183.613885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.613885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.017355 (E_RNA)
where:
Base-Base interactions energy: -125.558
where: short stacking energy: -50.723
Base-Backbone interact. energy: -0.800
local terms energy: -64.660267
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -14.451
Dist. restrs. and SS energy: 7.403 (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: 9
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -207.074452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.074452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.131035 (E_RNA)
where:
Base-Base interactions energy: -141.491
where: short stacking energy: -62.240
Base-Backbone interact. energy: -0.177
local terms energy: -65.463661
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -13.619
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -19.579
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -212.670853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.670853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.670853 (E_RNA)
where:
Base-Base interactions energy: -148.752
where: short stacking energy: -65.769
Base-Backbone interact. energy: 2.180
local terms energy: -66.099495
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -15.442
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -170.995247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.995247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.786235 (E_RNA)
where:
Base-Base interactions energy: -117.976
where: short stacking energy: -47.385
Base-Backbone interact. energy: 0.424
local terms energy: -62.234827
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -11.313
Dist. restrs. and SS energy: 8.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -236.853516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.853516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.912198 (E_RNA)
where:
Base-Base interactions energy: -169.328
where: short stacking energy: -68.005
Base-Backbone interact. energy: -0.070
local terms energy: -67.514324
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -14.861
flat angles P-C4'-P energy: -6.750
tors. eta vs tors. theta energy: -19.472
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -223.427487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.427487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.432935 (E_RNA)
where:
Base-Base interactions energy: -164.585
where: short stacking energy: -67.143
Base-Backbone interact. energy: 0.397
local terms energy: -59.245067
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -11.334
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -5.546
tors. eta vs tors. theta energy: -16.800
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -221.971851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.971851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.074799 (E_RNA)
where:
Base-Base interactions energy: -156.017
where: short stacking energy: -69.649
Base-Backbone interact. energy: -0.000
local terms energy: -66.057727
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -11.086
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -19.340
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: 10
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -204.132858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.132858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.395339 (E_RNA)
where:
Base-Base interactions energy: -143.328
where: short stacking energy: -58.828
Base-Backbone interact. energy: -0.036
local terms energy: -61.032288
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -15.499
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -12.544
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: 5, replica: 7
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -207.027398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.027398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.120330 (E_RNA)
where:
Base-Base interactions energy: -142.073
where: short stacking energy: -62.107
Base-Backbone interact. energy: -0.117
local terms energy: -64.930951
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -12.692
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -16.787
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -205.378160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.378160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.378160 (E_RNA)
where:
Base-Base interactions energy: -141.113
where: short stacking energy: -55.801
Base-Backbone interact. energy: 0.069
local terms energy: -64.333504
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -13.913
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -12.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -187.824082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.824082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.841912 (E_RNA)
where:
Base-Base interactions energy: -143.048
where: short stacking energy: -57.128
Base-Backbone interact. energy: -0.001
local terms energy: -52.792031
where:
bonds (distance) C4'-P energy: -10.307
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -4.373
tors. eta vs tors. theta energy: -14.710
Dist. restrs. and SS energy: 8.018 (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: 2
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -199.336863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.336863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.393414 (E_RNA)
where:
Base-Base interactions energy: -141.523
where: short stacking energy: -57.134
Base-Backbone interact. energy: 2.023
local terms energy: -59.894209
where:
bonds (distance) C4'-P energy: -6.604
bonds (distance) P-C4' energy: -12.926
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -15.618
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: 9
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -199.555311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.555311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.595583 (E_RNA)
where:
Base-Base interactions energy: -143.955
where: short stacking energy: -56.328
Base-Backbone interact. energy: -0.012
local terms energy: -55.628249
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -8.490
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -4.166
tors. eta vs tors. theta energy: -16.040
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: 4
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -170.109914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.109914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.790082 (E_RNA)
where:
Base-Base interactions energy: -133.041
where: short stacking energy: -56.895
Base-Backbone interact. energy: -0.359
local terms energy: -44.390196
where:
bonds (distance) C4'-P energy: -8.899
bonds (distance) P-C4' energy: -8.467
flat angles C4'-P-C4' energy: -6.304
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: -13.402
Dist. restrs. and SS energy: 7.680 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -233.471871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.471871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.590698 (E_RNA)
where:
Base-Base interactions energy: -165.697
where: short stacking energy: -64.338
Base-Backbone interact. energy: -0.035
local terms energy: -67.858747
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -5.343
tors. eta vs tors. theta energy: -19.353
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: 2, replica: 8
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -219.070158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.070158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.143611 (E_RNA)
where:
Base-Base interactions energy: -151.342
where: short stacking energy: -67.052
Base-Backbone interact. energy: 1.269
local terms energy: -69.070246
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -13.422
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -17.362
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -217.197864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.197864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.290006 (E_RNA)
where:
Base-Base interactions energy: -160.164
where: short stacking energy: -62.027
Base-Backbone interact. energy: -0.112
local terms energy: -57.014337
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -11.395
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -6.443
tors. eta vs tors. theta energy: -12.505
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -215.881669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.881669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.976880 (E_RNA)
where:
Base-Base interactions energy: -150.986
where: short stacking energy: -61.959
Base-Backbone interact. energy: 1.144
local terms energy: -66.134748
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -7.265
tors. eta vs tors. theta energy: -17.695
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: 1
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -209.055976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.055976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.255200 (E_RNA)
where:
Base-Base interactions energy: -146.657
where: short stacking energy: -67.989
Base-Backbone interact. energy: -0.242
local terms energy: -62.356976
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -16.780
Dist. restrs. and SS energy: 0.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -203.785501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.785501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.793431 (E_RNA)
where:
Base-Base interactions energy: -144.863
where: short stacking energy: -52.799
Base-Backbone interact. energy: -0.042
local terms energy: -58.889257
where:
bonds (distance) C4'-P energy: -7.981
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -14.160
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: 2
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -200.278002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.278002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.279925 (E_RNA)
where:
Base-Base interactions energy: -140.111
where: short stacking energy: -59.075
Base-Backbone interact. energy: 2.093
local terms energy: -62.262597
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -13.233
flat angles C4'-P-C4' energy: -11.178
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -15.035
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -174.542440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.542440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.897489 (E_RNA)
where:
Base-Base interactions energy: -121.864
where: short stacking energy: -48.747
Base-Backbone interact. energy: -0.889
local terms energy: -60.144537
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -4.137
tors. eta vs tors. theta energy: -13.080
Dist. restrs. and SS energy: 8.355 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -180.348904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.348904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.754892 (E_RNA)
where:
Base-Base interactions energy: -121.765
where: short stacking energy: -50.404
Base-Backbone interact. energy: 0.020
local terms energy: -67.009755
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -15.771
Dist. restrs. and SS energy: 8.406 (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: 9
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -193.656338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.656338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.670404 (E_RNA)
where:
Base-Base interactions energy: -140.652
where: short stacking energy: -51.856
Base-Backbone interact. energy: -0.031
local terms energy: -52.988118
where:
bonds (distance) C4'-P energy: -11.216
bonds (distance) P-C4' energy: -10.848
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -2.713
tors. eta vs tors. theta energy: -15.380
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: 159
Temperature: 0.900000
Total energy: -233.329150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.329150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.329150 (E_RNA)
where:
Base-Base interactions energy: -168.363
where: short stacking energy: -62.253
Base-Backbone interact. energy: -0.622
local terms energy: -64.344531
where:
bonds (distance) C4'-P energy: -14.420
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -7.229
tors. eta vs tors. theta energy: -14.754
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -226.044566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.044566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.046612 (E_RNA)
where:
Base-Base interactions energy: -162.635
where: short stacking energy: -64.362
Base-Backbone interact. energy: -0.371
local terms energy: -63.039811
where:
bonds (distance) C4'-P energy: -14.201
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -6.399
tors. eta vs tors. theta energy: -14.536
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -212.669248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.669248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.829521 (E_RNA)
where:
Base-Base interactions energy: -151.407
where: short stacking energy: -58.430
Base-Backbone interact. energy: 0.062
local terms energy: -61.484656
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -10.979
flat angles P-C4'-P energy: -6.805
tors. eta vs tors. theta energy: -15.323
Dist. restrs. and SS energy: 0.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -214.328912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.328912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.328912 (E_RNA)
where:
Base-Base interactions energy: -151.919
where: short stacking energy: -62.430
Base-Backbone interact. energy: -0.016
local terms energy: -62.393655
where:
bonds (distance) C4'-P energy: -11.948
bonds (distance) P-C4' energy: -10.060
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -15.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -213.534369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.534369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.534369 (E_RNA)
where:
Base-Base interactions energy: -149.579
where: short stacking energy: -61.603
Base-Backbone interact. energy: -0.105
local terms energy: -63.849499
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -16.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -199.945194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.945194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.953825 (E_RNA)
where:
Base-Base interactions energy: -141.575
where: short stacking energy: -56.349
Base-Backbone interact. energy: 1.267
local terms energy: -59.646612
where:
bonds (distance) C4'-P energy: -11.741
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -13.613
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -203.185742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.185742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.261496 (E_RNA)
where:
Base-Base interactions energy: -142.203
where: short stacking energy: -58.567
Base-Backbone interact. energy: -0.178
local terms energy: -60.879776
where:
bonds (distance) C4'-P energy: -6.442
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -15.953
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -182.945139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.945139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.365993 (E_RNA)
where:
Base-Base interactions energy: -130.821
where: short stacking energy: -59.586
Base-Backbone interact. energy: -0.002
local terms energy: -60.542627
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -14.046
Dist. restrs. and SS energy: 8.421 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -176.486264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.486264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.053969 (E_RNA)
where:
Base-Base interactions energy: -128.641
where: short stacking energy: -55.922
Base-Backbone interact. energy: -0.000
local terms energy: -54.412569
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -10.344
flat angles C4'-P-C4' energy: -11.594
flat angles P-C4'-P energy: -3.988
tors. eta vs tors. theta energy: -16.106
Dist. restrs. and SS energy: 6.568 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -191.645545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.645545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.709665 (E_RNA)
where:
Base-Base interactions energy: -137.935
where: short stacking energy: -56.389
Base-Backbone interact. energy: 0.638
local terms energy: -54.413045
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -10.521
flat angles C4'-P-C4' energy: -10.752
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -12.175
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -228.956668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.956668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.995943 (E_RNA)
where:
Base-Base interactions energy: -168.938
where: short stacking energy: -65.030
Base-Backbone interact. energy: -0.027
local terms energy: -60.031485
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -3.556
tors. eta vs tors. theta energy: -16.705
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: 3
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -232.477344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.477344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.494312 (E_RNA)
where:
Base-Base interactions energy: -163.155
where: short stacking energy: -63.619
Base-Backbone interact. energy: -0.012
local terms energy: -69.328250
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -16.700
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -221.336862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.336862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.346063 (E_RNA)
where:
Base-Base interactions energy: -152.476
where: short stacking energy: -64.971
Base-Backbone interact. energy: -0.008
local terms energy: -68.861772
where:
bonds (distance) C4'-P energy: -13.540
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -11.809
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -17.774
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -218.515779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.515779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.545620 (E_RNA)
where:
Base-Base interactions energy: -152.630
where: short stacking energy: -63.295
Base-Backbone interact. energy: -0.180
local terms energy: -65.736415
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -14.747
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -17.265
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -202.462698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.462698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.531427 (E_RNA)
where:
Base-Base interactions energy: -144.529
where: short stacking energy: -58.818
Base-Backbone interact. energy: -0.058
local terms energy: -57.944449
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -10.121
flat angles C4'-P-C4' energy: -10.552
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -15.035
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: 2
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -198.365484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.365484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.587110 (E_RNA)
where:
Base-Base interactions energy: -137.847
where: short stacking energy: -52.882
Base-Backbone interact. energy: -0.008
local terms energy: -60.732106
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -12.129
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -12.902
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: 4
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -182.858617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.858617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.116960 (E_RNA)
where:
Base-Base interactions energy: -132.274
where: short stacking energy: -53.859
Base-Backbone interact. energy: -0.335
local terms energy: -56.507161
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -6.376
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: -14.665
Dist. restrs. and SS energy: 6.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -201.377398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.377398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.456223 (E_RNA)
where:
Base-Base interactions energy: -145.585
where: short stacking energy: -61.985
Base-Backbone interact. energy: 1.666
local terms energy: -57.537164
where:
bonds (distance) C4'-P energy: -9.624
bonds (distance) P-C4' energy: -13.299
flat angles C4'-P-C4' energy: -10.151
flat angles P-C4'-P energy: -7.706
tors. eta vs tors. theta energy: -16.756
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: 9
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -203.745516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.745516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.863135 (E_RNA)
where:
Base-Base interactions energy: -141.354
where: short stacking energy: -59.142
Base-Backbone interact. energy: -0.006
local terms energy: -62.503533
where:
bonds (distance) C4'-P energy: -9.048
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -9.135
tors. eta vs tors. theta energy: -14.953
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: 160
Temperature: 1.350000
Total energy: -176.300813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.300813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.887771 (E_RNA)
where:
Base-Base interactions energy: -120.380
where: short stacking energy: -51.483
Base-Backbone interact. energy: -0.001
local terms energy: -63.506369
where:
bonds (distance) C4'-P energy: -13.161
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -12.523
Dist. restrs. and SS energy: 7.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -240.483704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.483704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.483704 (E_RNA)
where:
Base-Base interactions energy: -177.552
where: short stacking energy: -73.509
Base-Backbone interact. energy: -0.002
local terms energy: -62.929512
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -4.750
tors. eta vs tors. theta energy: -17.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -233.804776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.804776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.804776 (E_RNA)
where:
Base-Base interactions energy: -170.659
where: short stacking energy: -66.290
Base-Backbone interact. energy: -0.275
local terms energy: -62.870284
where:
bonds (distance) C4'-P energy: -9.807
bonds (distance) P-C4' energy: -11.291
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -19.313
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: 8
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -215.310544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.310544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.356664 (E_RNA)
where:
Base-Base interactions energy: -159.735
where: short stacking energy: -66.058
Base-Backbone interact. energy: -0.001
local terms energy: -55.620132
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -12.970
flat angles P-C4'-P energy: -2.575
tors. eta vs tors. theta energy: -15.540
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -216.683272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.683272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.738550 (E_RNA)
where:
Base-Base interactions energy: -154.191
where: short stacking energy: -59.332
Base-Backbone interact. energy: -0.085
local terms energy: -62.462462
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -10.250
flat angles C4'-P-C4' energy: -12.758
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -15.205
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -208.398428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.398428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.414307 (E_RNA)
where:
Base-Base interactions energy: -146.946
where: short stacking energy: -61.937
Base-Backbone interact. energy: -0.209
local terms energy: -61.259820
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -12.865
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: -11.463
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: 161
Temperature: 1.150000
Total energy: -196.086581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.086581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.715837 (E_RNA)
where:
Base-Base interactions energy: -144.499
where: short stacking energy: -60.657
Base-Backbone interact. energy: -0.076
local terms energy: -59.140413
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -6.518
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -6.807
tors. eta vs tors. theta energy: -17.065
Dist. restrs. and SS energy: 7.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -202.908186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.908186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.048998 (E_RNA)
where:
Base-Base interactions energy: -138.393
where: short stacking energy: -55.549
Base-Backbone interact. energy: -0.280
local terms energy: -64.376306
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -10.179
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -15.252
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: 9
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -196.885815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.885815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.923231 (E_RNA)
where:
Base-Base interactions energy: -138.355
where: short stacking energy: -56.848
Base-Backbone interact. energy: -0.003
local terms energy: -58.564970
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -13.993
flat angles C4'-P-C4' energy: -10.974
flat angles P-C4'-P energy: -4.239
tors. eta vs tors. theta energy: -17.102
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: 161
Temperature: 1.300000
Total energy: -202.749806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.749806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.866195 (E_RNA)
where:
Base-Base interactions energy: -137.370
where: short stacking energy: -54.973
Base-Backbone interact. energy: -0.923
local terms energy: -64.573309
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -10.116
flat angles P-C4'-P energy: -7.922
tors. eta vs tors. theta energy: -16.817
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: 161
Temperature: 1.350000
Total energy: -172.383367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.383367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.030681 (E_RNA)
where:
Base-Base interactions energy: -119.326
where: short stacking energy: -51.572
Base-Backbone interact. energy: -0.684
local terms energy: -60.020206
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -10.753
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -14.810
Dist. restrs. and SS energy: 7.647 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -232.641935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.641935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.694911 (E_RNA)
where:
Base-Base interactions energy: -166.669
where: short stacking energy: -63.540
Base-Backbone interact. energy: -0.002
local terms energy: -66.024697
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -6.251
tors. eta vs tors. theta energy: -15.371
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -232.598044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.598044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.608109 (E_RNA)
where:
Base-Base interactions energy: -177.424
where: short stacking energy: -73.370
Base-Backbone interact. energy: -0.001
local terms energy: -55.183329
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -10.955
flat angles P-C4'-P energy: 0.272
tors. eta vs tors. theta energy: -17.259
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: 162
Temperature: 1.000000
Total energy: -214.996736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.996736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.051475 (E_RNA)
where:
Base-Base interactions energy: -159.352
where: short stacking energy: -64.557
Base-Backbone interact. energy: 0.695
local terms energy: -56.394967
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -11.824
flat angles C4'-P-C4' energy: -10.181
flat angles P-C4'-P energy: -7.866
tors. eta vs tors. theta energy: -12.719
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: 6
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -211.063891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.063891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.143275 (E_RNA)
where:
Base-Base interactions energy: -155.166
where: short stacking energy: -60.139
Base-Backbone interact. energy: -0.065
local terms energy: -55.911956
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -13.172
flat angles C4'-P-C4' energy: -11.162
flat angles P-C4'-P energy: -5.244
tors. eta vs tors. theta energy: -13.014
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -198.133476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.133476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.461822 (E_RNA)
where:
Base-Base interactions energy: -143.841
where: short stacking energy: -57.982
Base-Backbone interact. energy: -0.001
local terms energy: -60.619835
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -6.135
tors. eta vs tors. theta energy: -16.201
Dist. restrs. and SS energy: 6.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -208.385907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.385907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.385907 (E_RNA)
where:
Base-Base interactions energy: -148.444
where: short stacking energy: -57.467
Base-Backbone interact. energy: 0.430
local terms energy: -60.371947
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -5.280
tors. eta vs tors. theta energy: -12.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -204.513078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.513078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.515484 (E_RNA)
where:
Base-Base interactions energy: -145.834
where: short stacking energy: -57.957
Base-Backbone interact. energy: 0.514
local terms energy: -59.195490
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -8.667
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -14.066
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -193.354762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.354762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.450684 (E_RNA)
where:
Base-Base interactions energy: -131.445
where: short stacking energy: -49.586
Base-Backbone interact. energy: 0.250
local terms energy: -62.256090
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: -13.289
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: 7
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -196.591434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.591434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.677970 (E_RNA)
where:
Base-Base interactions energy: -139.126
where: short stacking energy: -54.608
Base-Backbone interact. energy: -0.061
local terms energy: -57.490660
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -13.379
flat angles C4'-P-C4' energy: -11.563
flat angles P-C4'-P energy: -7.086
tors. eta vs tors. theta energy: -13.975
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -166.694277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.694277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.254401 (E_RNA)
where:
Base-Base interactions energy: -117.208
where: short stacking energy: -44.875
Base-Backbone interact. energy: -0.257
local terms energy: -56.788663
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -10.618
flat angles P-C4'-P energy: -7.637
tors. eta vs tors. theta energy: -11.484
Dist. restrs. and SS energy: 7.560 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -232.943491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.943491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.943491 (E_RNA)
where:
Base-Base interactions energy: -167.578
where: short stacking energy: -69.123
Base-Backbone interact. energy: -0.116
local terms energy: -65.249099
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -12.006
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: -18.315
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -214.942575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.942575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.969307 (E_RNA)
where:
Base-Base interactions energy: -143.226
where: short stacking energy: -60.011
Base-Backbone interact. energy: -0.000
local terms energy: -71.742940
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -18.966
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: 163
Temperature: 1.000000
Total energy: -222.486499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.486499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.494363 (E_RNA)
where:
Base-Base interactions energy: -165.481
where: short stacking energy: -63.430
Base-Backbone interact. energy: -0.018
local terms energy: -56.994914
where:
bonds (distance) C4'-P energy: -10.762
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -4.520
tors. eta vs tors. theta energy: -17.181
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: 163
Temperature: 1.050000
Total energy: -211.701953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.701953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.757481 (E_RNA)
where:
Base-Base interactions energy: -150.225
where: short stacking energy: -65.908
Base-Backbone interact. energy: -0.002
local terms energy: -61.529951
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -9.434
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -14.835
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: 4
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -195.894762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.894762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.529386 (E_RNA)
where:
Base-Base interactions energy: -140.791
where: short stacking energy: -53.851
Base-Backbone interact. energy: -0.078
local terms energy: -61.660350
where:
bonds (distance) C4'-P energy: -12.131
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -9.813
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -14.351
Dist. restrs. and SS energy: 6.635 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -206.627906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.627906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.658834 (E_RNA)
where:
Base-Base interactions energy: -148.358
where: short stacking energy: -62.824
Base-Backbone interact. energy: -0.013
local terms energy: -58.287441
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -10.327
flat angles C4'-P-C4' energy: -15.075
flat angles P-C4'-P energy: -7.323
tors. eta vs tors. theta energy: -15.276
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: 1
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -205.603637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.603637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.603637 (E_RNA)
where:
Base-Base interactions energy: -144.212
where: short stacking energy: -57.805
Base-Backbone interact. energy: -0.096
local terms energy: -61.296389
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -10.383
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -12.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -194.799684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.799684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.879727 (E_RNA)
where:
Base-Base interactions energy: -138.310
where: short stacking energy: -55.394
Base-Backbone interact. energy: -0.013
local terms energy: -56.557493
where:
bonds (distance) C4'-P energy: -8.102
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -12.168
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -15.331
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: 2
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -194.181571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.181571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.358556 (E_RNA)
where:
Base-Base interactions energy: -138.318
where: short stacking energy: -54.634
Base-Backbone interact. energy: -1.097
local terms energy: -54.943747
where:
bonds (distance) C4'-P energy: -10.062
bonds (distance) P-C4' energy: -9.575
flat angles C4'-P-C4' energy: -11.238
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -15.325
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -168.466522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.466522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.910118 (E_RNA)
where:
Base-Base interactions energy: -126.623
where: short stacking energy: -50.782
Base-Backbone interact. energy: -0.663
local terms energy: -49.623920
where:
bonds (distance) C4'-P energy: -10.542
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -11.339
flat angles P-C4'-P energy: -3.740
tors. eta vs tors. theta energy: -11.286
Dist. restrs. and SS energy: 8.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -240.181507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.181507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.309504 (E_RNA)
where:
Base-Base interactions energy: -174.422
where: short stacking energy: -71.268
Base-Backbone interact. energy: -0.801
local terms energy: -65.087107
where:
bonds (distance) C4'-P energy: -9.863
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -6.792
tors. eta vs tors. theta energy: -19.223
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -218.267682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.267682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.267682 (E_RNA)
where:
Base-Base interactions energy: -151.027
where: short stacking energy: -62.602
Base-Backbone interact. energy: -0.001
local terms energy: -67.239285
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -17.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -215.279475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.279475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.333674 (E_RNA)
where:
Base-Base interactions energy: -148.409
where: short stacking energy: -62.243
Base-Backbone interact. energy: -0.049
local terms energy: -66.875725
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -17.285
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: 164
Temperature: 1.050000
Total energy: -224.455078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.455078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.537394 (E_RNA)
where:
Base-Base interactions energy: -164.021
where: short stacking energy: -63.532
Base-Backbone interact. energy: -0.043
local terms energy: -60.474142
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -5.057
tors. eta vs tors. theta energy: -17.510
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -210.973862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.973862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.060139 (E_RNA)
where:
Base-Base interactions energy: -156.356
where: short stacking energy: -57.491
Base-Backbone interact. energy: -1.196
local terms energy: -53.508212
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -3.821
tors. eta vs tors. theta energy: -14.433
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: 164
Temperature: 1.150000
Total energy: -176.064128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.064128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.918064 (E_RNA)
where:
Base-Base interactions energy: -127.484
where: short stacking energy: -53.886
Base-Backbone interact. energy: -0.135
local terms energy: -56.299565
where:
bonds (distance) C4'-P energy: -10.069
bonds (distance) P-C4' energy: -11.655
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -5.399
tors. eta vs tors. theta energy: -14.634
Dist. restrs. and SS energy: 7.854 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -198.671511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.671511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.723645 (E_RNA)
where:
Base-Base interactions energy: -141.024
where: short stacking energy: -60.458
Base-Backbone interact. energy: 0.087
local terms energy: -57.786937
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -10.176
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -12.896
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: 1
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -197.712124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.712124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.712124 (E_RNA)
where:
Base-Base interactions energy: -142.280
where: short stacking energy: -56.217
Base-Backbone interact. energy: 0.094
local terms energy: -55.526340
where:
bonds (distance) C4'-P energy: -7.532
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -8.291
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -16.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -181.840094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.840094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.914920 (E_RNA)
where:
Base-Base interactions energy: -134.370
where: short stacking energy: -56.913
Base-Backbone interact. energy: -0.041
local terms energy: -54.504291
where:
bonds (distance) C4'-P energy: -8.687
bonds (distance) P-C4' energy: -11.403
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -6.008
tors. eta vs tors. theta energy: -15.617
Dist. restrs. and SS energy: 7.075 (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: 2
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -190.937655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.937655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.955679 (E_RNA)
where:
Base-Base interactions energy: -140.028
where: short stacking energy: -51.569
Base-Backbone interact. energy: -0.575
local terms energy: -50.352436
where:
bonds (distance) C4'-P energy: -9.888
bonds (distance) P-C4' energy: -10.679
flat angles C4'-P-C4' energy: -10.524
flat angles P-C4'-P energy: -4.874
tors. eta vs tors. theta energy: -14.387
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -235.926979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.926979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.989114 (E_RNA)
where:
Base-Base interactions energy: -171.429
where: short stacking energy: -69.271
Base-Backbone interact. energy: -0.813
local terms energy: -63.747020
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -14.742
flat angles C4'-P-C4' energy: -11.106
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -17.138
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: 8
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -221.596295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.596295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.847961 (E_RNA)
where:
Base-Base interactions energy: -149.959
where: short stacking energy: -63.429
Base-Backbone interact. energy: -0.178
local terms energy: -71.710538
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -16.825
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: 6
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -214.304676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.304676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.328430 (E_RNA)
where:
Base-Base interactions energy: -145.537
where: short stacking energy: -58.730
Base-Backbone interact. energy: -0.205
local terms energy: -68.586575
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -17.335
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: 165
Temperature: 1.050000
Total energy: -218.361072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.361072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.523587 (E_RNA)
where:
Base-Base interactions energy: -160.102
where: short stacking energy: -60.134
Base-Backbone interact. energy: -1.448
local terms energy: -56.973276
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -3.522
tors. eta vs tors. theta energy: -15.515
Dist. restrs. and SS energy: 0.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -217.088263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.088263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.278385 (E_RNA)
where:
Base-Base interactions energy: -156.845
where: short stacking energy: -58.439
Base-Backbone interact. energy: -0.870
local terms energy: -59.563729
where:
bonds (distance) C4'-P energy: -11.562
bonds (distance) P-C4' energy: -11.758
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -7.574
tors. eta vs tors. theta energy: -15.881
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: 165
Temperature: 1.150000
Total energy: -202.918711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.918711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.013486 (E_RNA)
where:
Base-Base interactions energy: -148.199
where: short stacking energy: -55.595
Base-Backbone interact. energy: -0.018
local terms energy: -54.796788
where:
bonds (distance) C4'-P energy: -9.562
bonds (distance) P-C4' energy: -11.247
flat angles C4'-P-C4' energy: -11.815
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -12.916
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -185.516794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.516794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.269482 (E_RNA)
where:
Base-Base interactions energy: -132.204
where: short stacking energy: -55.340
Base-Backbone interact. energy: -0.124
local terms energy: -60.941705
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -8.888
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -15.298
Dist. restrs. and SS energy: 7.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -186.181457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.181457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.305615 (E_RNA)
where:
Base-Base interactions energy: -135.520
where: short stacking energy: -54.859
Base-Backbone interact. energy: -0.133
local terms energy: -58.653258
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -11.423
flat angles C4'-P-C4' energy: -10.703
flat angles P-C4'-P energy: -6.909
tors. eta vs tors. theta energy: -16.978
Dist. restrs. and SS energy: 8.124 (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: 1
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -191.617468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.617468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.625625 (E_RNA)
where:
Base-Base interactions energy: -132.148
where: short stacking energy: -51.918
Base-Backbone interact. energy: -0.159
local terms energy: -59.318957
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -11.065
flat angles P-C4'-P energy: -6.146
tors. eta vs tors. theta energy: -14.586
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: 2
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -190.898894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.898894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.038982 (E_RNA)
where:
Base-Base interactions energy: -131.696
where: short stacking energy: -55.597
Base-Backbone interact. energy: -0.057
local terms energy: -59.286036
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -11.383
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: -13.462
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: 8
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -223.573195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.573195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.634566 (E_RNA)
where:
Base-Base interactions energy: -164.820
where: short stacking energy: -62.538
Base-Backbone interact. energy: -0.156
local terms energy: -58.658071
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -11.608
flat angles P-C4'-P energy: 0.424
tors. eta vs tors. theta energy: -18.989
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: 166
Temperature: 0.950000
Total energy: -239.031974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.031974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.073945 (E_RNA)
where:
Base-Base interactions energy: -170.171
where: short stacking energy: -70.119
Base-Backbone interact. energy: -0.247
local terms energy: -68.656834
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -19.120
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -219.398542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.398542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.671112 (E_RNA)
where:
Base-Base interactions energy: -168.930
where: short stacking energy: -69.829
Base-Backbone interact. energy: -0.025
local terms energy: -50.715932
where:
bonds (distance) C4'-P energy: -6.866
bonds (distance) P-C4' energy: -7.828
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -6.419
tors. eta vs tors. theta energy: -17.228
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: 4, replica: 6
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -216.685376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.685376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.985957 (E_RNA)
where:
Base-Base interactions energy: -153.607
where: short stacking energy: -69.250
Base-Backbone interact. energy: -0.008
local terms energy: -63.370949
where:
bonds (distance) C4'-P energy: -9.048
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -16.332
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: 5, replica: 7
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -206.780539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.780539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.781012 (E_RNA)
where:
Base-Base interactions energy: -141.800
where: short stacking energy: -58.187
Base-Backbone interact. energy: -0.010
local terms energy: -64.971577
where:
bonds (distance) C4'-P energy: -12.085
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -13.143
flat angles P-C4'-P energy: -7.344
tors. eta vs tors. theta energy: -17.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -208.431411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.431411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.431411 (E_RNA)
where:
Base-Base interactions energy: -139.996
where: short stacking energy: -58.780
Base-Backbone interact. energy: -0.127
local terms energy: -68.308872
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -5.803
tors. eta vs tors. theta energy: -20.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -191.129591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.129591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.678439 (E_RNA)
where:
Base-Base interactions energy: -142.821
where: short stacking energy: -60.131
Base-Backbone interact. energy: -0.531
local terms energy: -55.326967
where:
bonds (distance) C4'-P energy: -7.073
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -12.334
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -13.155
Dist. restrs. and SS energy: 7.549 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -184.269593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.269593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.178681 (E_RNA)
where:
Base-Base interactions energy: -130.805
where: short stacking energy: -53.372
Base-Backbone interact. energy: -0.223
local terms energy: -63.150180
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -13.127
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -15.281
Dist. restrs. and SS energy: 9.909 (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: 2
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -189.893623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.893623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.985002 (E_RNA)
where:
Base-Base interactions energy: -134.257
where: short stacking energy: -48.624
Base-Backbone interact. energy: -0.441
local terms energy: -55.286894
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -8.917
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -9.335
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: 166
Temperature: 1.350000
Total energy: -196.277591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.277591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.442206 (E_RNA)
where:
Base-Base interactions energy: -144.912
where: short stacking energy: -58.651
Base-Backbone interact. energy: -0.083
local terms energy: -51.446743
where:
bonds (distance) C4'-P energy: -6.742
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -12.027
flat angles P-C4'-P energy: -7.189
tors. eta vs tors. theta energy: -12.523
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: 1, replica: 8
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -225.518309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.518309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.554527 (E_RNA)
where:
Base-Base interactions energy: -162.785
where: short stacking energy: -65.311
Base-Backbone interact. energy: -0.008
local terms energy: -62.761845
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -11.925
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -17.303
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -226.251836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.251836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.451071 (E_RNA)
where:
Base-Base interactions energy: -165.850
where: short stacking energy: -65.751
Base-Backbone interact. energy: -0.159
local terms energy: -60.441796
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -4.493
tors. eta vs tors. theta energy: -17.194
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: 9
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -216.451444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.451444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.451444 (E_RNA)
where:
Base-Base interactions energy: -159.597
where: short stacking energy: -67.797
Base-Backbone interact. energy: -0.003
local terms energy: -56.852015
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -10.365
flat angles C4'-P-C4' energy: -9.471
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -15.764
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -207.391572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.391572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.438603 (E_RNA)
where:
Base-Base interactions energy: -147.314
where: short stacking energy: -58.617
Base-Backbone interact. energy: 0.063
local terms energy: -60.187113
where:
bonds (distance) C4'-P energy: -11.360
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -12.824
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -14.731
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: 6
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -217.131535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.131535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.215104 (E_RNA)
where:
Base-Base interactions energy: -151.041
where: short stacking energy: -61.329
Base-Backbone interact. energy: -0.006
local terms energy: -66.168166
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -16.257
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: 5
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -196.299920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.299920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.336722 (E_RNA)
where:
Base-Base interactions energy: -140.782
where: short stacking energy: -56.282
Base-Backbone interact. energy: 0.667
local terms energy: -64.221467
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -6.617
tors. eta vs tors. theta energy: -19.333
Dist. restrs. and SS energy: 8.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -208.024524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.024524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.100574 (E_RNA)
where:
Base-Base interactions energy: -141.056
where: short stacking energy: -57.370
Base-Backbone interact. energy: -0.375
local terms energy: -66.669677
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -15.873
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -200.564004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.564004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.564004 (E_RNA)
where:
Base-Base interactions energy: -137.950
where: short stacking energy: -55.997
Base-Backbone interact. energy: -0.684
local terms energy: -61.930173
where:
bonds (distance) C4'-P energy: -9.013
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -13.995
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -179.520226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.520226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.237234 (E_RNA)
where:
Base-Base interactions energy: -133.753
where: short stacking energy: -57.974
Base-Backbone interact. energy: -0.004
local terms energy: -51.479473
where:
bonds (distance) C4'-P energy: -8.926
bonds (distance) P-C4' energy: -9.677
flat angles C4'-P-C4' energy: -9.788
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -14.018
Dist. restrs. and SS energy: 5.717 (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: 1
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -193.526549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.526549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.773549 (E_RNA)
where:
Base-Base interactions energy: -134.269
where: short stacking energy: -56.502
Base-Backbone interact. energy: -0.206
local terms energy: -59.298147
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -11.150
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -12.973
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: 3
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -232.228543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.228543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.300502 (E_RNA)
where:
Base-Base interactions energy: -170.199
where: short stacking energy: -68.824
Base-Backbone interact. energy: -0.335
local terms energy: -61.765877
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -11.760
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -2.753
tors. eta vs tors. theta energy: -17.878
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -227.727483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.727483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.832295 (E_RNA)
where:
Base-Base interactions energy: -160.855
where: short stacking energy: -60.388
Base-Backbone interact. energy: -0.575
local terms energy: -66.401848
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -5.405
tors. eta vs tors. theta energy: -17.880
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: 168
Temperature: 1.000000
Total energy: -211.997024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.997024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.042477 (E_RNA)
where:
Base-Base interactions energy: -151.805
where: short stacking energy: -61.958
Base-Backbone interact. energy: -0.001
local terms energy: -60.237314
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -12.092
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -206.869484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.869484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.913823 (E_RNA)
where:
Base-Base interactions energy: -141.848
where: short stacking energy: -63.862
Base-Backbone interact. energy: -0.001
local terms energy: -65.065421
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -16.562
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: 5
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -200.128789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.128789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.467574 (E_RNA)
where:
Base-Base interactions energy: -142.110
where: short stacking energy: -57.419
Base-Backbone interact. energy: -0.050
local terms energy: -66.307310
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -9.543
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -18.215
Dist. restrs. and SS energy: 8.339 (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: 168
Temperature: 1.150000
Total energy: -205.070865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.070865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.108668 (E_RNA)
where:
Base-Base interactions energy: -145.063
where: short stacking energy: -57.037
Base-Backbone interact. energy: -0.137
local terms energy: -59.908000
where:
bonds (distance) C4'-P energy: -9.904
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -11.858
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -200.495571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.495571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.569312 (E_RNA)
where:
Base-Base interactions energy: -136.869
where: short stacking energy: -59.160
Base-Backbone interact. energy: -0.001
local terms energy: -63.699343
where:
bonds (distance) C4'-P energy: -9.379
bonds (distance) P-C4' energy: -14.379
flat angles C4'-P-C4' energy: -10.983
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -17.821
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: 2
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -206.590526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.590526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.068642 (E_RNA)
where:
Base-Base interactions energy: -147.783
where: short stacking energy: -63.316
Base-Backbone interact. energy: -0.219
local terms energy: -59.066741
where:
bonds (distance) C4'-P energy: -9.730
bonds (distance) P-C4' energy: -10.984
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -15.840
Dist. restrs. and SS energy: 0.478 (S_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: -199.915545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.915545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.051980 (E_RNA)
where:
Base-Base interactions energy: -141.358
where: short stacking energy: -59.852
Base-Backbone interact. energy: 0.567
local terms energy: -59.260340
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -10.553
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -16.845
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -177.810513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.810513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.956092 (E_RNA)
where:
Base-Base interactions energy: -121.938
where: short stacking energy: -53.470
Base-Backbone interact. energy: -0.350
local terms energy: -64.668187
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -14.837
Dist. restrs. and SS energy: 9.146 (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: 3
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -232.191764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.191764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.196170 (E_RNA)
where:
Base-Base interactions energy: -169.735
where: short stacking energy: -67.518
Base-Backbone interact. energy: -0.003
local terms energy: -62.457234
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -9.341
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -18.174
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: 169
Temperature: 0.950000
Total energy: -226.379198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.379198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.500783 (E_RNA)
where:
Base-Base interactions energy: -162.833
where: short stacking energy: -68.843
Base-Backbone interact. energy: 0.025
local terms energy: -63.693127
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: -16.332
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -217.504587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.504587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.606510 (E_RNA)
where:
Base-Base interactions energy: -157.213
where: short stacking energy: -65.331
Base-Backbone interact. energy: -0.012
local terms energy: -60.381298
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -13.897
flat angles C4'-P-C4' energy: -12.047
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -16.698
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: 9
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -209.626839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.626839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.652466 (E_RNA)
where:
Base-Base interactions energy: -148.908
where: short stacking energy: -64.006
Base-Backbone interact. energy: -0.047
local terms energy: -60.697306
where:
bonds (distance) C4'-P energy: -9.752
bonds (distance) P-C4' energy: -10.463
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -17.070
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: 5
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -196.789845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.789845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.695394 (E_RNA)
where:
Base-Base interactions energy: -140.190
where: short stacking energy: -62.802
Base-Backbone interact. energy: -0.295
local terms energy: -64.209608
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -12.543
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -16.762
Dist. restrs. and SS energy: 7.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -207.240404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.240404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.298658 (E_RNA)
where:
Base-Base interactions energy: -148.486
where: short stacking energy: -58.975
Base-Backbone interact. energy: -0.091
local terms energy: -58.722157
where:
bonds (distance) C4'-P energy: -5.262
bonds (distance) P-C4' energy: -11.406
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -18.191
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: 169
Temperature: 1.200000
Total energy: -200.837582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.837582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.190426 (E_RNA)
where:
Base-Base interactions energy: -140.060
where: short stacking energy: -55.184
Base-Backbone interact. energy: -0.009
local terms energy: -61.121383
where:
bonds (distance) C4'-P energy: -10.724
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -12.876
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: 8, replica: 1
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -198.975721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.975721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.980812 (E_RNA)
where:
Base-Base interactions energy: -141.482
where: short stacking energy: -55.672
Base-Backbone interact. energy: -0.062
local terms energy: -57.436869
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -11.508
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -15.080
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: 2
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -195.097160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.097160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.325689 (E_RNA)
where:
Base-Base interactions energy: -142.335
where: short stacking energy: -60.233
Base-Backbone interact. energy: 0.176
local terms energy: -53.166620
where:
bonds (distance) C4'-P energy: -9.700
bonds (distance) P-C4' energy: -8.661
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -10.516
tors. eta vs tors. theta energy: -11.637
Dist. restrs. and SS energy: 0.229 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -176.877045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.877045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.935264 (E_RNA)
where:
Base-Base interactions energy: -131.756
where: short stacking energy: -59.502
Base-Backbone interact. energy: -0.485
local terms energy: -52.694632
where:
bonds (distance) C4'-P energy: -11.312
bonds (distance) P-C4' energy: -9.798
flat angles C4'-P-C4' energy: -9.292
flat angles P-C4'-P energy: -6.281
tors. eta vs tors. theta energy: -16.011
Dist. restrs. and SS energy: 8.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -222.645789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.645789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.757190 (E_RNA)
where:
Base-Base interactions energy: -157.249
where: short stacking energy: -63.512
Base-Backbone interact. energy: -0.073
local terms energy: -65.434992
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -6.474
tors. eta vs tors. theta energy: -15.681
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -229.769905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.769905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.769905 (E_RNA)
where:
Base-Base interactions energy: -166.414
where: short stacking energy: -66.488
Base-Backbone interact. energy: -0.003
local terms energy: -63.353086
where:
bonds (distance) C4'-P energy: -12.226
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -6.267
tors. eta vs tors. theta energy: -14.354
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: 3, replica: 9
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -218.060959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.060959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.103431 (E_RNA)
where:
Base-Base interactions energy: -158.045
where: short stacking energy: -59.067
Base-Backbone interact. energy: -0.018
local terms energy: -60.040454
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -14.181
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -6.497
tors. eta vs tors. theta energy: -13.616
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -207.403915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.403915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.433626 (E_RNA)
where:
Base-Base interactions energy: -138.652
where: short stacking energy: -58.453
Base-Backbone interact. energy: -0.069
local terms energy: -68.713053
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -16.059
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -206.869548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.869548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.003458 (E_RNA)
where:
Base-Base interactions energy: -137.843
where: short stacking energy: -55.059
Base-Backbone interact. energy: -0.291
local terms energy: -68.869191
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -16.708
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -189.627400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.627400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.529107 (E_RNA)
where:
Base-Base interactions energy: -136.091
where: short stacking energy: -57.356
Base-Backbone interact. energy: -0.007
local terms energy: -59.431408
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -11.123
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -16.936
Dist. restrs. and SS energy: 5.902 (S_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: -201.951424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.951424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.973553 (E_RNA)
where:
Base-Base interactions energy: -141.892
where: short stacking energy: -52.767
Base-Backbone interact. energy: 0.906
local terms energy: -60.987178
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -12.388
tors. eta vs tors. theta energy: -13.774
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: 10
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -195.716521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.716521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.939166 (E_RNA)
where:
Base-Base interactions energy: -149.500
where: short stacking energy: -55.811
Base-Backbone interact. energy: 0.022
local terms energy: -46.460965
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -7.656
flat angles P-C4'-P energy: 1.460
tors. eta vs tors. theta energy: -16.950
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: 4
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -176.538961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.538961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.662737 (E_RNA)
where:
Base-Base interactions energy: -129.207
where: short stacking energy: -53.740
Base-Backbone interact. energy: -0.177
local terms energy: -55.278468
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -7.502
flat angles P-C4'-P energy: -7.254
tors. eta vs tors. theta energy: -13.709
Dist. restrs. and SS energy: 8.124 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -193.391940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.391940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.494995 (E_RNA)
where:
Base-Base interactions energy: -135.870
where: short stacking energy: -54.520
Base-Backbone interact. energy: -0.004
local terms energy: -57.621338
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -7.982
flat angles C4'-P-C4' energy: -12.112
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -17.382
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: 7
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -221.137855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.137855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.202752 (E_RNA)
where:
Base-Base interactions energy: -155.899
where: short stacking energy: -66.270
Base-Backbone interact. energy: -0.044
local terms energy: -65.260362
where:
bonds (distance) C4'-P energy: -10.723
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -16.666
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -228.354633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.354633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.371417 (E_RNA)
where:
Base-Base interactions energy: -167.498
where: short stacking energy: -68.761
Base-Backbone interact. energy: -0.055
local terms energy: -60.818490
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -4.516
tors. eta vs tors. theta energy: -16.069
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -230.423689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.423689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.464753 (E_RNA)
where:
Base-Base interactions energy: -167.780
where: short stacking energy: -66.804
Base-Backbone interact. energy: -0.029
local terms energy: -62.656325
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -12.115
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -5.141
tors. eta vs tors. theta energy: -19.068
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: 6
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -207.300975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.300975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.442088 (E_RNA)
where:
Base-Base interactions energy: -145.458
where: short stacking energy: -63.587
Base-Backbone interact. energy: -0.046
local terms energy: -61.937134
where:
bonds (distance) C4'-P energy: -7.490
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -6.032
tors. eta vs tors. theta energy: -19.219
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: 8
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -203.916249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.916249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.061381 (E_RNA)
where:
Base-Base interactions energy: -148.729
where: short stacking energy: -56.664
Base-Backbone interact. energy: 0.389
local terms energy: -55.720897
where:
bonds (distance) C4'-P energy: -11.640
bonds (distance) P-C4' energy: -10.085
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -7.855
tors. eta vs tors. theta energy: -12.251
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -218.918681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.918681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.919782 (E_RNA)
where:
Base-Base interactions energy: -164.780
where: short stacking energy: -62.659
Base-Backbone interact. energy: -0.004
local terms energy: -54.135051
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -10.288
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -2.566
tors. eta vs tors. theta energy: -15.266
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: 5
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -196.384909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.384909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.683695 (E_RNA)
where:
Base-Base interactions energy: -136.603
where: short stacking energy: -59.391
Base-Backbone interact. energy: -2.147
local terms energy: -65.933841
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -10.528
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -17.852
Dist. restrs. and SS energy: 8.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -198.287091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.287091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.475316 (E_RNA)
where:
Base-Base interactions energy: -142.400
where: short stacking energy: -54.741
Base-Backbone interact. energy: -0.010
local terms energy: -56.065689
where:
bonds (distance) C4'-P energy: -9.609
bonds (distance) P-C4' energy: -12.207
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -14.249
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: 4
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -183.397451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.397451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.610329 (E_RNA)
where:
Base-Base interactions energy: -136.656
where: short stacking energy: -61.270
Base-Backbone interact. energy: -0.566
local terms energy: -54.387768
where:
bonds (distance) C4'-P energy: -10.814
bonds (distance) P-C4' energy: -5.796
flat angles C4'-P-C4' energy: -14.296
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -15.052
Dist. restrs. and SS energy: 8.213 (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: 2
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -189.217789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.217789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.376735 (E_RNA)
where:
Base-Base interactions energy: -135.332
where: short stacking energy: -52.196
Base-Backbone interact. energy: -0.052
local terms energy: -53.992344
where:
bonds (distance) C4'-P energy: -9.175
bonds (distance) P-C4' energy: -11.139
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -12.289
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: 9
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -236.026926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.026926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.030255 (E_RNA)
where:
Base-Base interactions energy: -169.940
where: short stacking energy: -68.831
Base-Backbone interact. energy: -0.026
local terms energy: -66.064173
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -15.445
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: 7
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -216.900782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.900782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.940092 (E_RNA)
where:
Base-Base interactions energy: -150.144
where: short stacking energy: -63.904
Base-Backbone interact. energy: -0.004
local terms energy: -66.791773
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -11.667
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -17.549
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -223.256055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.256055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.307181 (E_RNA)
where:
Base-Base interactions energy: -154.991
where: short stacking energy: -63.073
Base-Backbone interact. energy: -0.279
local terms energy: -68.036565
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -17.203
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: 6
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -221.528606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.528606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.707031 (E_RNA)
where:
Base-Base interactions energy: -159.154
where: short stacking energy: -64.117
Base-Backbone interact. energy: -0.017
local terms energy: -62.535685
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -3.385
tors. eta vs tors. theta energy: -16.276
Dist. restrs. and SS energy: 0.178 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -201.841617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.841617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.852527 (E_RNA)
where:
Base-Base interactions energy: -141.186
where: short stacking energy: -61.262
Base-Backbone interact. energy: -0.038
local terms energy: -60.628721
where:
bonds (distance) C4'-P energy: -9.903
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -11.497
flat angles P-C4'-P energy: -6.849
tors. eta vs tors. theta energy: -16.878
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: 1
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -203.877650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.877650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.020925 (E_RNA)
where:
Base-Base interactions energy: -138.180
where: short stacking energy: -58.860
Base-Backbone interact. energy: -0.000
local terms energy: -65.841149
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -11.917
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -17.675
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: 172
Temperature: 1.200000
Total energy: -199.474490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.474490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.480677 (E_RNA)
where:
Base-Base interactions energy: -130.819
where: short stacking energy: -52.012
Base-Backbone interact. energy: -0.058
local terms energy: -68.603512
where:
bonds (distance) C4'-P energy: -12.827
bonds (distance) P-C4' energy: -15.792
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -17.702
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -181.006590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.006590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.246932 (E_RNA)
where:
Base-Base interactions energy: -137.892
where: short stacking energy: -57.911
Base-Backbone interact. energy: -0.722
local terms energy: -48.633275
where:
bonds (distance) C4'-P energy: -10.012
bonds (distance) P-C4' energy: -4.737
flat angles C4'-P-C4' energy: -11.382
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -14.130
Dist. restrs. and SS energy: 6.240 (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: 2
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -198.313435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.313435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.366084 (E_RNA)
where:
Base-Base interactions energy: -144.673
where: short stacking energy: -62.559
Base-Backbone interact. energy: -0.401
local terms energy: -53.292011
where:
bonds (distance) C4'-P energy: -6.618
bonds (distance) P-C4' energy: -6.029
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -6.346
tors. eta vs tors. theta energy: -19.179
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -173.187894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.187894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.075262 (E_RNA)
where:
Base-Base interactions energy: -122.086
where: short stacking energy: -51.715
Base-Backbone interact. energy: 0.792
local terms energy: -58.781080
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -10.335
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -14.319
Dist. restrs. and SS energy: 6.887 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -233.406450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.406450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.452056 (E_RNA)
where:
Base-Base interactions energy: -169.287
where: short stacking energy: -70.728
Base-Backbone interact. energy: -0.051
local terms energy: -64.114016
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -5.022
tors. eta vs tors. theta energy: -17.342
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: 3
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -218.141970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.141970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.155065 (E_RNA)
where:
Base-Base interactions energy: -154.205
where: short stacking energy: -62.383
Base-Backbone interact. energy: -0.002
local terms energy: -63.947883
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -14.826
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -13.083
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -223.412042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.412042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.452640 (E_RNA)
where:
Base-Base interactions energy: -163.167
where: short stacking energy: -67.318
Base-Backbone interact. energy: 0.198
local terms energy: -60.483262
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -11.679
flat angles C4'-P-C4' energy: -10.386
flat angles P-C4'-P energy: -6.939
tors. eta vs tors. theta energy: -17.431
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -224.058975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.058975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.260964 (E_RNA)
where:
Base-Base interactions energy: -161.121
where: short stacking energy: -62.767
Base-Backbone interact. energy: -0.001
local terms energy: -63.138757
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -3.402
tors. eta vs tors. theta energy: -15.767
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: 6
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -207.470187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.470187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.506052 (E_RNA)
where:
Base-Base interactions energy: -149.414
where: short stacking energy: -61.980
Base-Backbone interact. energy: -0.084
local terms energy: -58.007697
where:
bonds (distance) C4'-P energy: -9.809
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -5.312
tors. eta vs tors. theta energy: -16.393
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: 173
Temperature: 1.150000
Total energy: -206.944196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.944196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.976815 (E_RNA)
where:
Base-Base interactions energy: -146.676
where: short stacking energy: -62.418
Base-Backbone interact. energy: -0.002
local terms energy: -60.298603
where:
bonds (distance) C4'-P energy: -8.129
bonds (distance) P-C4' energy: -13.140
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -13.764
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: 173
Temperature: 1.200000
Total energy: -200.206129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.206129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.206129 (E_RNA)
where:
Base-Base interactions energy: -143.268
where: short stacking energy: -58.309
Base-Backbone interact. energy: -0.223
local terms energy: -56.714772
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -10.511
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -15.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -211.918501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.918501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.998313 (E_RNA)
where:
Base-Base interactions energy: -153.826
where: short stacking energy: -63.210
Base-Backbone interact. energy: -0.170
local terms energy: -58.001789
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -3.794
tors. eta vs tors. theta energy: -15.555
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: 173
Temperature: 1.300000
Total energy: -186.989323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.989323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.454030 (E_RNA)
where:
Base-Base interactions energy: -136.858
where: short stacking energy: -60.430
Base-Backbone interact. energy: -0.003
local terms energy: -56.592939
where:
bonds (distance) C4'-P energy: -4.878
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -16.699
Dist. restrs. and SS energy: 6.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -178.414791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.414791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.706239 (E_RNA)
where:
Base-Base interactions energy: -126.323
where: short stacking energy: -51.227
Base-Backbone interact. energy: -0.464
local terms energy: -60.919098
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -11.849
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -12.135
Dist. restrs. and SS energy: 9.291 (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: 3
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -220.061466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.061466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.061466 (E_RNA)
where:
Base-Base interactions energy: -150.770
where: short stacking energy: -59.438
Base-Backbone interact. energy: -0.001
local terms energy: -69.291246
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -15.228
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -234.867167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.867167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.951889 (E_RNA)
where:
Base-Base interactions energy: -174.145
where: short stacking energy: -69.348
Base-Backbone interact. energy: -0.012
local terms energy: -60.794641
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -4.579
tors. eta vs tors. theta energy: -17.102
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -213.477201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.477201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.620724 (E_RNA)
where:
Base-Base interactions energy: -151.528
where: short stacking energy: -60.052
Base-Backbone interact. energy: -0.258
local terms energy: -61.834703
where:
bonds (distance) C4'-P energy: -13.654
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -4.539
tors. eta vs tors. theta energy: -16.174
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: 7
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -217.899335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.899335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.982141 (E_RNA)
where:
Base-Base interactions energy: -153.646
where: short stacking energy: -60.454
Base-Backbone interact. energy: -0.006
local terms energy: -64.329613
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -5.245
tors. eta vs tors. theta energy: -18.637
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: 174
Temperature: 1.100000
Total energy: -213.849015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.849015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.071527 (E_RNA)
where:
Base-Base interactions energy: -148.272
where: short stacking energy: -65.033
Base-Backbone interact. energy: 0.276
local terms energy: -66.075693
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -14.725
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: 6
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -199.740966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.740966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.913545 (E_RNA)
where:
Base-Base interactions energy: -140.177
where: short stacking energy: -56.088
Base-Backbone interact. energy: -0.752
local terms energy: -58.984829
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -10.657
flat angles P-C4'-P energy: -7.627
tors. eta vs tors. theta energy: -15.727
Dist. restrs. and SS energy: 0.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -203.381360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.381360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.381360 (E_RNA)
where:
Base-Base interactions energy: -151.824
where: short stacking energy: -57.615
Base-Backbone interact. energy: -0.156
local terms energy: -51.400613
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -11.546
flat angles C4'-P-C4' energy: -13.874
flat angles P-C4'-P energy: -3.681
tors. eta vs tors. theta energy: -9.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -202.292415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.292415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.292415 (E_RNA)
where:
Base-Base interactions energy: -145.913
where: short stacking energy: -61.034
Base-Backbone interact. energy: -0.000
local terms energy: -56.378499
where:
bonds (distance) C4'-P energy: -8.851
bonds (distance) P-C4' energy: -8.985
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -18.058
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -176.230374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.230374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.610848 (E_RNA)
where:
Base-Base interactions energy: -130.129
where: short stacking energy: -58.325
Base-Backbone interact. energy: -0.039
local terms energy: -53.443230
where:
bonds (distance) C4'-P energy: -7.540
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -10.407
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -14.310
Dist. restrs. and SS energy: 7.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -177.816705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.816705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.969961 (E_RNA)
where:
Base-Base interactions energy: -127.716
where: short stacking energy: -56.675
Base-Backbone interact. energy: -0.063
local terms energy: -59.191814
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -13.373
Dist. restrs. and SS energy: 9.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -227.278048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.278048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.284873 (E_RNA)
where:
Base-Base interactions energy: -164.063
where: short stacking energy: -58.379
Base-Backbone interact. energy: 0.190
local terms energy: -63.411734
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -11.274
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -14.734
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -237.878084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.878084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.878084 (E_RNA)
where:
Base-Base interactions energy: -170.333
where: short stacking energy: -67.190
Base-Backbone interact. energy: -0.005
local terms energy: -67.540078
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -15.002
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: -15.338
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -214.773211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.773211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.030798 (E_RNA)
where:
Base-Base interactions energy: -145.875
where: short stacking energy: -63.274
Base-Backbone interact. energy: -0.100
local terms energy: -69.056421
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -10.157
tors. eta vs tors. theta energy: -17.680
Dist. restrs. and SS energy: 0.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -210.204038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.204038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.263564 (E_RNA)
where:
Base-Base interactions energy: -150.450
where: short stacking energy: -62.006
Base-Backbone interact. energy: -0.003
local terms energy: -59.810249
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -7.231
tors. eta vs tors. theta energy: -12.027
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -206.149643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.149643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.221852 (E_RNA)
where:
Base-Base interactions energy: -148.607
where: short stacking energy: -60.324
Base-Backbone interact. energy: -0.027
local terms energy: -57.587772
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -8.863
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -6.803
tors. eta vs tors. theta energy: -16.211
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: 175
Temperature: 1.150000
Total energy: -205.841732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.841732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.945765 (E_RNA)
where:
Base-Base interactions energy: -137.477
where: short stacking energy: -56.471
Base-Backbone interact. energy: -0.016
local terms energy: -68.452142
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -14.600
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: 1
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -202.316552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.316552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.330331 (E_RNA)
where:
Base-Base interactions energy: -143.655
where: short stacking energy: -58.829
Base-Backbone interact. energy: -0.897
local terms energy: -57.778492
where:
bonds (distance) C4'-P energy: -11.013
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -5.038
tors. eta vs tors. theta energy: -14.848
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: 4
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -188.312353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.312353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.984076 (E_RNA)
where:
Base-Base interactions energy: -134.212
where: short stacking energy: -56.611
Base-Backbone interact. energy: -0.014
local terms energy: -61.758188
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -11.107
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -13.428
Dist. restrs. and SS energy: 7.672 (S_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: 175
Temperature: 1.300000
Total energy: -195.030626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.030626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.030626 (E_RNA)
where:
Base-Base interactions energy: -137.020
where: short stacking energy: -53.499
Base-Backbone interact. energy: -0.030
local terms energy: -57.981006
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -8.732
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -13.316
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -170.902798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.902798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.495692 (E_RNA)
where:
Base-Base interactions energy: -127.797
where: short stacking energy: -47.788
Base-Backbone interact. energy: -0.060
local terms energy: -50.638619
where:
bonds (distance) C4'-P energy: -9.801
bonds (distance) P-C4' energy: -10.978
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -7.199
tors. eta vs tors. theta energy: -9.921
Dist. restrs. and SS energy: 7.593 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -217.457046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.457046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.610660 (E_RNA)
where:
Base-Base interactions energy: -153.857
where: short stacking energy: -70.929
Base-Backbone interact. energy: -0.005
local terms energy: -63.749368
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -9.490
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -17.305
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: 176
Temperature: 0.950000
Total energy: -214.951345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.951345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.004201 (E_RNA)
where:
Base-Base interactions energy: -158.960
where: short stacking energy: -65.817
Base-Backbone interact. energy: -0.010
local terms energy: -56.034530
where:
bonds (distance) C4'-P energy: -10.041
bonds (distance) P-C4' energy: -5.781
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -17.133
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -223.927043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.927043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.964055 (E_RNA)
where:
Base-Base interactions energy: -161.954
where: short stacking energy: -60.890
Base-Backbone interact. energy: -0.062
local terms energy: -61.947861
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -4.057
tors. eta vs tors. theta energy: -16.822
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -223.395462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.395462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.395462 (E_RNA)
where:
Base-Base interactions energy: -163.576
where: short stacking energy: -64.141
Base-Backbone interact. energy: -0.483
local terms energy: -59.335941
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -3.981
tors. eta vs tors. theta energy: -15.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -209.251144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.251144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.269088 (E_RNA)
where:
Base-Base interactions energy: -157.667
where: short stacking energy: -60.198
Base-Backbone interact. energy: 0.201
local terms energy: -51.803080
where:
bonds (distance) C4'-P energy: -7.712
bonds (distance) P-C4' energy: -12.732
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -6.537
tors. eta vs tors. theta energy: -12.332
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -209.609440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.609440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.662885 (E_RNA)
where:
Base-Base interactions energy: -141.546
where: short stacking energy: -65.831
Base-Backbone interact. energy: -0.001
local terms energy: -68.116170
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -18.525
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: 7, replica: 1
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -195.434688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.434688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.439286 (E_RNA)
where:
Base-Base interactions energy: -139.141
where: short stacking energy: -52.482
Base-Backbone interact. energy: -0.159
local terms energy: -56.138942
where:
bonds (distance) C4'-P energy: -8.686
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -8.857
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -13.378
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -187.846606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.846606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.359845 (E_RNA)
where:
Base-Base interactions energy: -137.540
where: short stacking energy: -59.553
Base-Backbone interact. energy: -0.054
local terms energy: -57.766056
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -8.312
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -8.740
tors. eta vs tors. theta energy: -14.264
Dist. restrs. and SS energy: 7.513 (S_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: -198.555987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.555987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.660032 (E_RNA)
where:
Base-Base interactions energy: -143.357
where: short stacking energy: -53.723
Base-Backbone interact. energy: -0.252
local terms energy: -55.051648
where:
bonds (distance) C4'-P energy: -9.823
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -10.243
flat angles P-C4'-P energy: -5.254
tors. eta vs tors. theta energy: -17.308
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -172.549474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.549474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.057460 (E_RNA)
where:
Base-Base interactions energy: -118.697
where: short stacking energy: -49.004
Base-Backbone interact. energy: -0.008
local terms energy: -62.352853
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -12.365
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -14.320
Dist. restrs. and SS energy: 8.508 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -222.324938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.324938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.338394 (E_RNA)
where:
Base-Base interactions energy: -162.755
where: short stacking energy: -62.198
Base-Backbone interact. energy: -0.041
local terms energy: -59.541583
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -2.319
tors. eta vs tors. theta energy: -19.503
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: 10
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -228.328632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.328632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.363874 (E_RNA)
where:
Base-Base interactions energy: -166.437
where: short stacking energy: -65.613
Base-Backbone interact. energy: -0.045
local terms energy: -61.881883
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -12.566
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -15.869
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -214.693628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.693628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.726231 (E_RNA)
where:
Base-Base interactions energy: -143.725
where: short stacking energy: -57.966
Base-Backbone interact. energy: -0.171
local terms energy: -70.831043
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -16.615
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -219.970829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.970829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.031086 (E_RNA)
where:
Base-Base interactions energy: -156.664
where: short stacking energy: -60.450
Base-Backbone interact. energy: -0.029
local terms energy: -63.338199
where:
bonds (distance) C4'-P energy: -12.706
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -15.614
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -209.280351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.280351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.340780 (E_RNA)
where:
Base-Base interactions energy: -149.586
where: short stacking energy: -63.049
Base-Backbone interact. energy: -0.000
local terms energy: -59.754514
where:
bonds (distance) C4'-P energy: -9.652
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -5.663
tors. eta vs tors. theta energy: -16.106
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: 177
Temperature: 1.150000
Total energy: -201.554434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.554434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.638399 (E_RNA)
where:
Base-Base interactions energy: -146.897
where: short stacking energy: -55.504
Base-Backbone interact. energy: -0.011
local terms energy: -54.730160
where:
bonds (distance) C4'-P energy: -8.233
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -10.270
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -14.634
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -204.163121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.163121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.218732 (E_RNA)
where:
Base-Base interactions energy: -150.320
where: short stacking energy: -58.802
Base-Backbone interact. energy: -0.018
local terms energy: -53.881038
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -7.631
flat angles P-C4'-P energy: -4.638
tors. eta vs tors. theta energy: -17.994
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -196.614071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.614071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.614071 (E_RNA)
where:
Base-Base interactions energy: -142.745
where: short stacking energy: -54.374
Base-Backbone interact. energy: -0.045
local terms energy: -53.823934
where:
bonds (distance) C4'-P energy: -9.712
bonds (distance) P-C4' energy: -10.243
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -12.239
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: 9, replica: 4
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -172.146524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.146524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.197521 (E_RNA)
where:
Base-Base interactions energy: -122.293
where: short stacking energy: -49.841
Base-Backbone interact. energy: -0.093
local terms energy: -56.812124
where:
bonds (distance) C4'-P energy: -11.216
bonds (distance) P-C4' energy: -11.498
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -12.485
Dist. restrs. and SS energy: 7.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -173.516305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.516305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.769938 (E_RNA)
where:
Base-Base interactions energy: -126.757
where: short stacking energy: -49.852
Base-Backbone interact. energy: -0.269
local terms energy: -53.743576
where:
bonds (distance) C4'-P energy: -8.215
bonds (distance) P-C4' energy: -10.718
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -6.698
tors. eta vs tors. theta energy: -14.623
Dist. restrs. and SS energy: 7.254 (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: 10
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -228.375802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.375802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.495600 (E_RNA)
where:
Base-Base interactions energy: -167.289
where: short stacking energy: -64.999
Base-Backbone interact. energy: 0.064
local terms energy: -61.270698
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -11.102
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: 2, replica: 9
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -232.028541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.028541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.074528 (E_RNA)
where:
Base-Base interactions energy: -168.360
where: short stacking energy: -65.994
Base-Backbone interact. energy: -0.054
local terms energy: -63.660124
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -4.690
tors. eta vs tors. theta energy: -18.135
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: 8
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -211.384561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.384561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.456498 (E_RNA)
where:
Base-Base interactions energy: -146.082
where: short stacking energy: -62.137
Base-Backbone interact. energy: -0.093
local terms energy: -65.281633
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -6.035
tors. eta vs tors. theta energy: -16.541
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -212.398708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.398708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.565461 (E_RNA)
where:
Base-Base interactions energy: -143.231
where: short stacking energy: -59.799
Base-Backbone interact. energy: -0.123
local terms energy: -69.211724
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -17.103
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: 5, replica: 6
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -223.997551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.997551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.148871 (E_RNA)
where:
Base-Base interactions energy: -162.261
where: short stacking energy: -64.571
Base-Backbone interact. energy: -0.007
local terms energy: -61.881629
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -1.589
tors. eta vs tors. theta energy: -15.970
Dist. restrs. and SS energy: 0.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -201.635089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.635089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.653257 (E_RNA)
where:
Base-Base interactions energy: -145.126
where: short stacking energy: -55.839
Base-Backbone interact. energy: -0.031
local terms energy: -56.496645
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -11.121
flat angles C4'-P-C4' energy: -10.172
flat angles P-C4'-P energy: -7.884
tors. eta vs tors. theta energy: -16.075
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: 7
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -207.363623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.363623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.484786 (E_RNA)
where:
Base-Base interactions energy: -148.756
where: short stacking energy: -59.255
Base-Backbone interact. energy: -0.222
local terms energy: -58.506713
where:
bonds (distance) C4'-P energy: -6.817
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -13.375
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -16.467
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: 2
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -196.661729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.661729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.700121 (E_RNA)
where:
Base-Base interactions energy: -136.101
where: short stacking energy: -52.265
Base-Backbone interact. energy: -0.000
local terms energy: -60.598657
where:
bonds (distance) C4'-P energy: -9.835
bonds (distance) P-C4' energy: -11.360
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -17.431
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -182.679929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.679929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.436859 (E_RNA)
where:
Base-Base interactions energy: -135.127
where: short stacking energy: -60.403
Base-Backbone interact. energy: -0.001
local terms energy: -54.309198
where:
bonds (distance) C4'-P energy: -10.643
bonds (distance) P-C4' energy: -4.181
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -7.725
tors. eta vs tors. theta energy: -19.106
Dist. restrs. and SS energy: 6.757 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -177.823946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.823946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.497150 (E_RNA)
where:
Base-Base interactions energy: -114.639
where: short stacking energy: -53.262
Base-Backbone interact. energy: -0.463
local terms energy: -70.395304
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -17.666
Dist. restrs. and SS energy: 7.673 (S_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: 179
Temperature: 0.900000
Total energy: -242.362968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.362968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.380963 (E_RNA)
where:
Base-Base interactions energy: -177.462
where: short stacking energy: -70.955
Base-Backbone interact. energy: -0.166
local terms energy: -64.753418
where:
bonds (distance) C4'-P energy: -10.492
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: -18.675
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -226.029945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.029945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.029945 (E_RNA)
where:
Base-Base interactions energy: -163.311
where: short stacking energy: -66.787
Base-Backbone interact. energy: -0.017
local terms energy: -62.701942
where:
bonds (distance) C4'-P energy: -13.101
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -3.454
tors. eta vs tors. theta energy: -17.481
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: 3, replica: 8
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -212.237738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.237738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.285233 (E_RNA)
where:
Base-Base interactions energy: -152.971
where: short stacking energy: -58.087
Base-Backbone interact. energy: -0.045
local terms energy: -59.269508
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -4.452
tors. eta vs tors. theta energy: -16.651
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -212.005192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.005192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.005192 (E_RNA)
where:
Base-Base interactions energy: -149.841
where: short stacking energy: -59.039
Base-Backbone interact. energy: -0.087
local terms energy: -62.077158
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -13.016
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -16.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -204.395458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.395458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.442266 (E_RNA)
where:
Base-Base interactions energy: -147.959
where: short stacking energy: -57.031
Base-Backbone interact. energy: -0.149
local terms energy: -56.333678
where:
bonds (distance) C4'-P energy: -10.754
bonds (distance) P-C4' energy: -11.914
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -6.379
tors. eta vs tors. theta energy: -14.338
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -208.094246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.094246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.183464 (E_RNA)
where:
Base-Base interactions energy: -155.600
where: short stacking energy: -61.258
Base-Backbone interact. energy: 0.034
local terms energy: -52.617338
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -12.645
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -1.640
tors. eta vs tors. theta energy: -13.748
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -198.798327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.798327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.858724 (E_RNA)
where:
Base-Base interactions energy: -140.257
where: short stacking energy: -55.345
Base-Backbone interact. energy: -0.050
local terms energy: -58.551949
where:
bonds (distance) C4'-P energy: -4.414
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -16.146
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -199.472337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.472337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.622569 (E_RNA)
where:
Base-Base interactions energy: -145.551
where: short stacking energy: -62.327
Base-Backbone interact. energy: -0.771
local terms energy: -53.300768
where:
bonds (distance) C4'-P energy: -10.888
bonds (distance) P-C4' energy: -8.498
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -5.421
tors. eta vs tors. theta energy: -13.593
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: 179
Temperature: 1.300000
Total energy: -174.445812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.445812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.431260 (E_RNA)
where:
Base-Base interactions energy: -121.093
where: short stacking energy: -48.533
Base-Backbone interact. energy: -0.017
local terms energy: -60.321520
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -13.534
Dist. restrs. and SS energy: 6.985 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -179.528733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.528733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.670610 (E_RNA)
where:
Base-Base interactions energy: -129.910
where: short stacking energy: -57.296
Base-Backbone interact. energy: -0.135
local terms energy: -57.625488
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -10.160
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -15.935
Dist. restrs. and SS energy: 8.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -237.154276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.154276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.154276 (E_RNA)
where:
Base-Base interactions energy: -171.869
where: short stacking energy: -66.080
Base-Backbone interact. energy: -0.016
local terms energy: -65.269109
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -5.608
tors. eta vs tors. theta energy: -19.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -214.259977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.259977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.329749 (E_RNA)
where:
Base-Base interactions energy: -145.732
where: short stacking energy: -62.304
Base-Backbone interact. energy: -0.048
local terms energy: -68.549617
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -5.447
tors. eta vs tors. theta energy: -19.579
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: 6
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -217.061418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.061418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.358452 (E_RNA)
where:
Base-Base interactions energy: -147.943
where: short stacking energy: -65.602
Base-Backbone interact. energy: -0.041
local terms energy: -69.373724
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -19.163
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: 4, replica: 8
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -210.417903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.417903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.455817 (E_RNA)
where:
Base-Base interactions energy: -145.955
where: short stacking energy: -58.376
Base-Backbone interact. energy: -0.001
local terms energy: -64.499913
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -16.883
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: 7
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -211.211927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.211927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.285697 (E_RNA)
where:
Base-Base interactions energy: -150.180
where: short stacking energy: -58.853
Base-Backbone interact. energy: -0.011
local terms energy: -61.094186
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -5.658
tors. eta vs tors. theta energy: -14.493
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: 3
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -202.163559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.163559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.305783 (E_RNA)
where:
Base-Base interactions energy: -141.130
where: short stacking energy: -57.500
Base-Backbone interact. energy: -0.258
local terms energy: -60.917901
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -5.886
tors. eta vs tors. theta energy: -14.214
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -204.155289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.155289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.233186 (E_RNA)
where:
Base-Base interactions energy: -140.347
where: short stacking energy: -56.909
Base-Backbone interact. energy: -0.128
local terms energy: -63.759012
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -11.494
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -14.396
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: 1
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -195.860118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.860118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.977795 (E_RNA)
where:
Base-Base interactions energy: -139.207
where: short stacking energy: -52.273
Base-Backbone interact. energy: -0.007
local terms energy: -56.764205
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -10.409
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -5.115
tors. eta vs tors. theta energy: -15.098
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -178.518823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.518823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.540191 (E_RNA)
where:
Base-Base interactions energy: -134.885
where: short stacking energy: -49.223
Base-Backbone interact. energy: -0.780
local terms energy: -48.874714
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -10.741
flat angles C4'-P-C4' energy: -9.423
flat angles P-C4'-P energy: -3.893
tors. eta vs tors. theta energy: -12.225
Dist. restrs. and SS energy: 6.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -176.454827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.454827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.643102 (E_RNA)
where:
Base-Base interactions energy: -121.092
where: short stacking energy: -55.672
Base-Backbone interact. energy: -0.002
local terms energy: -62.549352
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -11.196
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -18.261
Dist. restrs. and SS energy: 7.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -233.641209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.641209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.642501 (E_RNA)
where:
Base-Base interactions energy: -175.016
where: short stacking energy: -67.056
Base-Backbone interact. energy: -0.077
local terms energy: -58.549860
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -10.571
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -6.857
tors. eta vs tors. theta energy: -14.936
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: 6
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -222.855293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.855293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.047424 (E_RNA)
where:
Base-Base interactions energy: -158.189
where: short stacking energy: -68.586
Base-Backbone interact. energy: -0.002
local terms energy: -64.856661
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -9.619
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -18.146
Dist. restrs. and SS energy: 0.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -210.820654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.820654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.820654 (E_RNA)
where:
Base-Base interactions energy: -146.377
where: short stacking energy: -60.608
Base-Backbone interact. energy: 0.195
local terms energy: -64.638348
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -15.999
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -213.658571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.658571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.659667 (E_RNA)
where:
Base-Base interactions energy: -146.894
where: short stacking energy: -59.798
Base-Backbone interact. energy: 0.751
local terms energy: -67.516919
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -15.946
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: 7
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -224.731975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.731975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.790568 (E_RNA)
where:
Base-Base interactions energy: -166.237
where: short stacking energy: -63.652
Base-Backbone interact. energy: -0.005
local terms energy: -58.548728
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -4.889
tors. eta vs tors. theta energy: -14.460
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -202.716940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.716940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.774672 (E_RNA)
where:
Base-Base interactions energy: -142.040
where: short stacking energy: -58.850
Base-Backbone interact. energy: -0.006
local terms energy: -60.728218
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -11.038
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -13.180
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: 2
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -206.478215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.478215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.960313 (E_RNA)
where:
Base-Base interactions energy: -153.317
where: short stacking energy: -58.030
Base-Backbone interact. energy: -0.022
local terms energy: -53.621352
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -10.662
flat angles P-C4'-P energy: -0.342
tors. eta vs tors. theta energy: -14.761
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: 8, replica: 5
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -192.530037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.530037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.313366 (E_RNA)
where:
Base-Base interactions energy: -134.642
where: short stacking energy: -55.745
Base-Backbone interact. energy: -0.008
local terms energy: -65.663450
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -14.876
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -15.116
Dist. restrs. and SS energy: 7.783 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -201.020380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.020380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.120949 (E_RNA)
where:
Base-Base interactions energy: -136.383
where: short stacking energy: -54.595
Base-Backbone interact. energy: -0.502
local terms energy: -64.235895
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -12.248
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -16.466
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: 4
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -171.620839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.620839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.859271 (E_RNA)
where:
Base-Base interactions energy: -121.094
where: short stacking energy: -40.202
Base-Backbone interact. energy: -0.647
local terms energy: -56.117843
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -9.310
flat angles C4'-P-C4' energy: -11.195
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -13.659
Dist. restrs. and SS energy: 6.238 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -229.164323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.164323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.208995 (E_RNA)
where:
Base-Base interactions energy: -164.449
where: short stacking energy: -66.887
Base-Backbone interact. energy: -0.032
local terms energy: -64.728511
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -15.792
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: 10
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -231.608926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.608926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.694875 (E_RNA)
where:
Base-Base interactions energy: -168.015
where: short stacking energy: -67.272
Base-Backbone interact. energy: -0.150
local terms energy: -63.530039
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -4.038
tors. eta vs tors. theta energy: -14.754
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -210.542990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.542990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.542990 (E_RNA)
where:
Base-Base interactions energy: -151.413
where: short stacking energy: -63.967
Base-Backbone interact. energy: -0.001
local terms energy: -59.129606
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -11.885
flat angles P-C4'-P energy: -5.973
tors. eta vs tors. theta energy: -15.382
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -207.588526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.588526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.708840 (E_RNA)
where:
Base-Base interactions energy: -139.340
where: short stacking energy: -53.605
Base-Backbone interact. energy: -0.038
local terms energy: -68.330790
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -16.028
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -9.518
tors. eta vs tors. theta energy: -15.726
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -228.710210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.710210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.934732 (E_RNA)
where:
Base-Base interactions energy: -166.726
where: short stacking energy: -67.035
Base-Backbone interact. energy: -0.725
local terms energy: -61.483541
where:
bonds (distance) C4'-P energy: -13.178
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -5.072
tors. eta vs tors. theta energy: -15.128
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: 6, replica: 3
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -204.017361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.017361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.084667 (E_RNA)
where:
Base-Base interactions energy: -146.721
where: short stacking energy: -57.894
Base-Backbone interact. energy: -0.396
local terms energy: -56.967395
where:
bonds (distance) C4'-P energy: -9.419
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -10.376
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -12.500
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -188.211408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.211408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.537465 (E_RNA)
where:
Base-Base interactions energy: -143.773
where: short stacking energy: -58.977
Base-Backbone interact. energy: -0.287
local terms energy: -51.477019
where:
bonds (distance) C4'-P energy: -10.095
bonds (distance) P-C4' energy: -7.136
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -12.814
Dist. restrs. and SS energy: 7.326 (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: 2
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -204.667849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.667849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.687834 (E_RNA)
where:
Base-Base interactions energy: -143.639
where: short stacking energy: -58.515
Base-Backbone interact. energy: -0.159
local terms energy: -60.888972
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -11.014
flat angles C4'-P-C4' energy: -9.853
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -16.911
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -197.900558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.900558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.930514 (E_RNA)
where:
Base-Base interactions energy: -141.789
where: short stacking energy: -53.240
Base-Backbone interact. energy: -0.143
local terms energy: -55.998456
where:
bonds (distance) C4'-P energy: -7.009
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -12.373
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -13.681
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: 182
Temperature: 1.350000
Total energy: -176.177559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.177559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.045385 (E_RNA)
where:
Base-Base interactions energy: -124.821
where: short stacking energy: -48.269
Base-Backbone interact. energy: -0.451
local terms energy: -57.773318
where:
bonds (distance) C4'-P energy: -10.981
bonds (distance) P-C4' energy: -10.841
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -14.090
Dist. restrs. and SS energy: 6.868 (S_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: 183
Temperature: 0.900000
Total energy: -228.026423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.026423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.101737 (E_RNA)
where:
Base-Base interactions energy: -156.056
where: short stacking energy: -63.132
Base-Backbone interact. energy: -0.000
local terms energy: -72.046116
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -19.641
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -231.368086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.368086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.611847 (E_RNA)
where:
Base-Base interactions energy: -159.842
where: short stacking energy: -62.542
Base-Backbone interact. energy: -0.360
local terms energy: -71.409667
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -16.814
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: 3, replica: 10
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -228.069907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.069907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.104256 (E_RNA)
where:
Base-Base interactions energy: -167.467
where: short stacking energy: -64.538
Base-Backbone interact. energy: -0.004
local terms energy: -60.633142
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -4.589
tors. eta vs tors. theta energy: -17.213
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -212.948947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.948947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.954879 (E_RNA)
where:
Base-Base interactions energy: -147.447
where: short stacking energy: -61.297
Base-Backbone interact. energy: 0.416
local terms energy: -65.923950
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -11.781
flat angles C4'-P-C4' energy: -13.287
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -16.999
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: 7
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -209.180204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.180204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.180204 (E_RNA)
where:
Base-Base interactions energy: -156.044
where: short stacking energy: -61.604
Base-Backbone interact. energy: 0.349
local terms energy: -53.484914
where:
bonds (distance) C4'-P energy: -9.198
bonds (distance) P-C4' energy: -11.569
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -6.417
tors. eta vs tors. theta energy: -13.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -205.754260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.754260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.782580 (E_RNA)
where:
Base-Base interactions energy: -139.677
where: short stacking energy: -57.187
Base-Backbone interact. energy: -0.560
local terms energy: -65.546497
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -12.383
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -18.532
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: 183
Temperature: 1.200000
Total energy: -189.765473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.765473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.441791 (E_RNA)
where:
Base-Base interactions energy: -133.402
where: short stacking energy: -54.829
Base-Backbone interact. energy: -1.290
local terms energy: -62.750167
where:
bonds (distance) C4'-P energy: -10.480
bonds (distance) P-C4' energy: -10.520
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -15.833
Dist. restrs. and SS energy: 7.676 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -217.632009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.632009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.648031 (E_RNA)
where:
Base-Base interactions energy: -153.665
where: short stacking energy: -62.094
Base-Backbone interact. energy: -0.042
local terms energy: -63.940770
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -14.946
flat angles C4'-P-C4' energy: -11.914
flat angles P-C4'-P energy: -5.315
tors. eta vs tors. theta energy: -17.156
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: 2
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -188.099647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.099647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.099647 (E_RNA)
where:
Base-Base interactions energy: -132.936
where: short stacking energy: -50.386
Base-Backbone interact. energy: 0.615
local terms energy: -55.778348
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -12.475
flat angles C4'-P-C4' energy: -10.349
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -8.368
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -180.770341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.770341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.702977 (E_RNA)
where:
Base-Base interactions energy: -128.943
where: short stacking energy: -58.680
Base-Backbone interact. energy: 0.667
local terms energy: -61.426231
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -5.597
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -16.871
Dist. restrs. and SS energy: 8.933 (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: 8
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -230.144113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.144113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.426239 (E_RNA)
where:
Base-Base interactions energy: -165.863
where: short stacking energy: -67.840
Base-Backbone interact. energy: -0.104
local terms energy: -64.459541
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -13.147
flat angles C4'-P-C4' energy: -10.882
flat angles P-C4'-P energy: -8.431
tors. eta vs tors. theta energy: -17.744
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: 6
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -222.569162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.569162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.631188 (E_RNA)
where:
Base-Base interactions energy: -155.559
where: short stacking energy: -64.828
Base-Backbone interact. energy: -0.004
local terms energy: -67.068246
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -12.558
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -16.670
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -207.919162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.919162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.070217 (E_RNA)
where:
Base-Base interactions energy: -143.842
where: short stacking energy: -57.860
Base-Backbone interact. energy: 0.577
local terms energy: -64.805459
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -14.569
Dist. restrs. and SS energy: 0.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -212.939958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.939958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.944894 (E_RNA)
where:
Base-Base interactions energy: -158.169
where: short stacking energy: -61.460
Base-Backbone interact. energy: -0.336
local terms energy: -54.439653
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -10.333
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: -2.229
tors. eta vs tors. theta energy: -16.816
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -211.157335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.157335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.275299 (E_RNA)
where:
Base-Base interactions energy: -151.445
where: short stacking energy: -63.915
Base-Backbone interact. energy: -0.268
local terms energy: -59.561922
where:
bonds (distance) C4'-P energy: -9.470
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -14.992
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: 7
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -209.528152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.528152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.580535 (E_RNA)
where:
Base-Base interactions energy: -143.151
where: short stacking energy: -58.901
Base-Backbone interact. energy: -0.003
local terms energy: -66.425970
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -14.994
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -204.000472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.000472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.051392 (E_RNA)
where:
Base-Base interactions energy: -134.058
where: short stacking energy: -51.680
Base-Backbone interact. energy: -0.024
local terms energy: -69.969306
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -16.879
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: 5
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -180.625228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.625228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.723032 (E_RNA)
where:
Base-Base interactions energy: -125.738
where: short stacking energy: -55.989
Base-Backbone interact. energy: -0.129
local terms energy: -61.856276
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -11.009
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -17.024
Dist. restrs. and SS energy: 7.098 (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: 2
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -203.666448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.666448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.682942 (E_RNA)
where:
Base-Base interactions energy: -142.233
where: short stacking energy: -57.942
Base-Backbone interact. energy: -0.050
local terms energy: -61.400160
where:
bonds (distance) C4'-P energy: -10.083
bonds (distance) P-C4' energy: -12.143
flat angles C4'-P-C4' energy: -11.919
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -16.910
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -168.754661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.754661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.551082 (E_RNA)
where:
Base-Base interactions energy: -124.613
where: short stacking energy: -56.684
Base-Backbone interact. energy: -0.124
local terms energy: -50.813906
where:
bonds (distance) C4'-P energy: -9.421
bonds (distance) P-C4' energy: -9.541
flat angles C4'-P-C4' energy: -9.644
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -14.820
Dist. restrs. and SS energy: 6.796 (S_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: 185
Temperature: 0.900000
Total energy: -240.163746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.163746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.209004 (E_RNA)
where:
Base-Base interactions energy: -175.619
where: short stacking energy: -72.137
Base-Backbone interact. energy: -0.007
local terms energy: -64.583058
where:
bonds (distance) C4'-P energy: -9.984
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -17.975
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -225.818409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.818409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.924549 (E_RNA)
where:
Base-Base interactions energy: -158.985
where: short stacking energy: -69.905
Base-Backbone interact. energy: 0.920
local terms energy: -67.859551
where:
bonds (distance) C4'-P energy: -10.203
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -18.078
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -212.841882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.841882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.862837 (E_RNA)
where:
Base-Base interactions energy: -146.101
where: short stacking energy: -60.954
Base-Backbone interact. energy: -0.326
local terms energy: -66.435529
where:
bonds (distance) C4'-P energy: -13.130
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -16.853
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: 3
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -207.426104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.426104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.727482 (E_RNA)
where:
Base-Base interactions energy: -138.128
where: short stacking energy: -55.220
Base-Backbone interact. energy: -0.003
local terms energy: -69.596688
where:
bonds (distance) C4'-P energy: -13.215
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -16.913
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: 5, replica: 10
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -210.169888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.169888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.583619 (E_RNA)
where:
Base-Base interactions energy: -148.917
where: short stacking energy: -61.687
Base-Backbone interact. energy: -0.000
local terms energy: -61.666601
where:
bonds (distance) C4'-P energy: -10.012
bonds (distance) P-C4' energy: -13.379
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -16.346
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: 6, replica: 1
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -208.367534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.367534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.367534 (E_RNA)
where:
Base-Base interactions energy: -154.871
where: short stacking energy: -60.305
Base-Backbone interact. energy: -0.206
local terms energy: -53.290513
where:
bonds (distance) C4'-P energy: -9.887
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -4.576
tors. eta vs tors. theta energy: -12.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -201.633564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.633564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.856657 (E_RNA)
where:
Base-Base interactions energy: -144.845
where: short stacking energy: -56.353
Base-Backbone interact. energy: -0.132
local terms energy: -56.879659
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -9.654
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -6.817
tors. eta vs tors. theta energy: -15.025
Dist. restrs. and SS energy: 0.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -212.762618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.762618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.774695 (E_RNA)
where:
Base-Base interactions energy: -161.082
where: short stacking energy: -63.884
Base-Backbone interact. energy: -0.008
local terms energy: -51.684221
where:
bonds (distance) C4'-P energy: -7.625
bonds (distance) P-C4' energy: -8.382
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -5.143
tors. eta vs tors. theta energy: -17.984
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -177.069283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.069283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.653236 (E_RNA)
where:
Base-Base interactions energy: -121.171
where: short stacking energy: -50.738
Base-Backbone interact. energy: -0.409
local terms energy: -63.072735
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -12.223
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: -12.175
Dist. restrs. and SS energy: 7.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -171.306204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.306204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.206975 (E_RNA)
where:
Base-Base interactions energy: -123.499
where: short stacking energy: -56.775
Base-Backbone interact. energy: -0.003
local terms energy: -55.705832
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -3.707
tors. eta vs tors. theta energy: -12.933
Dist. restrs. and SS energy: 7.901 (S_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: 186
Temperature: 0.900000
Total energy: -232.031508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.031508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.078053 (E_RNA)
where:
Base-Base interactions energy: -168.883
where: short stacking energy: -65.025
Base-Backbone interact. energy: -0.909
local terms energy: -62.285523
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -3.655
tors. eta vs tors. theta energy: -15.436
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: 6
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -216.952921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.952921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.967755 (E_RNA)
where:
Base-Base interactions energy: -150.420
where: short stacking energy: -64.584
Base-Backbone interact. energy: -0.413
local terms energy: -66.135336
where:
bonds (distance) C4'-P energy: -11.816
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -10.715
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -19.096
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -219.324482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.324482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.613694 (E_RNA)
where:
Base-Base interactions energy: -155.521
where: short stacking energy: -60.290
Base-Backbone interact. energy: -0.417
local terms energy: -63.676191
where:
bonds (distance) C4'-P energy: -10.260
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -8.697
tors. eta vs tors. theta energy: -14.937
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: 4, replica: 9
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -211.275326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.275326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.520582 (E_RNA)
where:
Base-Base interactions energy: -156.321
where: short stacking energy: -60.942
Base-Backbone interact. energy: -0.016
local terms energy: -55.183816
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -11.205
flat angles P-C4'-P energy: -4.240
tors. eta vs tors. theta energy: -13.230
Dist. restrs. and SS energy: 0.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -206.172768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.172768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.553611 (E_RNA)
where:
Base-Base interactions energy: -142.446
where: short stacking energy: -60.452
Base-Backbone interact. energy: -0.228
local terms energy: -63.879395
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -14.349
Dist. restrs. and SS energy: 0.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -199.873246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.873246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.900625 (E_RNA)
where:
Base-Base interactions energy: -146.645
where: short stacking energy: -59.974
Base-Backbone interact. energy: 0.646
local terms energy: -53.901363
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -5.564
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -16.104
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -208.270290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.270290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.299454 (E_RNA)
where:
Base-Base interactions energy: -159.013
where: short stacking energy: -62.952
Base-Backbone interact. energy: -0.001
local terms energy: -49.285555
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -8.304
flat angles P-C4'-P energy: -5.340
tors. eta vs tors. theta energy: -12.987
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: 186
Temperature: 1.250000
Total energy: -203.971397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.971397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.050461 (E_RNA)
where:
Base-Base interactions energy: -145.697
where: short stacking energy: -55.251
Base-Backbone interact. energy: -0.010
local terms energy: -58.342993
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -12.060
flat angles P-C4'-P energy: -6.860
tors. eta vs tors. theta energy: -14.574
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -172.032832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.032832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.339759 (E_RNA)
where:
Base-Base interactions energy: -129.438
where: short stacking energy: -61.145
Base-Backbone interact. energy: -0.606
local terms energy: -50.295351
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -7.314
flat angles C4'-P-C4' energy: -8.282
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: -16.802
Dist. restrs. and SS energy: 8.307 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -185.191683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.191683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.306924 (E_RNA)
where:
Base-Base interactions energy: -134.368
where: short stacking energy: -60.540
Base-Backbone interact. energy: -0.000
local terms energy: -58.938266
where:
bonds (distance) C4'-P energy: -8.357
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -16.419
Dist. restrs. and SS energy: 8.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -235.105534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.105534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.145473 (E_RNA)
where:
Base-Base interactions energy: -174.505
where: short stacking energy: -69.159
Base-Backbone interact. energy: -0.081
local terms energy: -60.559567
where:
bonds (distance) C4'-P energy: -9.942
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -5.774
tors. eta vs tors. theta energy: -17.143
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -208.033244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.033244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.056230 (E_RNA)
where:
Base-Base interactions energy: -146.145
where: short stacking energy: -55.810
Base-Backbone interact. energy: -0.001
local terms energy: -61.910439
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -11.974
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -12.030
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -219.753856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.753856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.753856 (E_RNA)
where:
Base-Base interactions energy: -149.429
where: short stacking energy: -62.582
Base-Backbone interact. energy: -0.005
local terms energy: -70.319658
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -14.111
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -19.377
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -214.544771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.544771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.572935 (E_RNA)
where:
Base-Base interactions energy: -144.514
where: short stacking energy: -59.076
Base-Backbone interact. energy: -0.075
local terms energy: -69.984291
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -15.320
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -206.428238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.428238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.473362 (E_RNA)
where:
Base-Base interactions energy: -146.424
where: short stacking energy: -56.328
Base-Backbone interact. energy: -0.005
local terms energy: -60.044037
where:
bonds (distance) C4'-P energy: -9.907
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -6.310
tors. eta vs tors. theta energy: -15.026
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: 2
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -202.665461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.665461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.665461 (E_RNA)
where:
Base-Base interactions energy: -144.083
where: short stacking energy: -58.881
Base-Backbone interact. energy: -0.026
local terms energy: -58.556056
where:
bonds (distance) C4'-P energy: -9.151
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -9.631
tors. eta vs tors. theta energy: -14.222
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -199.846625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.846625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.880452 (E_RNA)
where:
Base-Base interactions energy: -141.939
where: short stacking energy: -60.132
Base-Backbone interact. energy: -0.620
local terms energy: -57.321406
where:
bonds (distance) C4'-P energy: -9.689
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -5.926
tors. eta vs tors. theta energy: -14.088
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -182.529341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.529341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.671462 (E_RNA)
where:
Base-Base interactions energy: -138.358
where: short stacking energy: -56.277
Base-Backbone interact. energy: -0.520
local terms energy: -53.793235
where:
bonds (distance) C4'-P energy: -5.575
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -10.948
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -13.335
Dist. restrs. and SS energy: 10.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -194.869490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.869490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.089645 (E_RNA)
where:
Base-Base interactions energy: -132.614
where: short stacking energy: -55.321
Base-Backbone interact. energy: -0.306
local terms energy: -62.169698
where:
bonds (distance) C4'-P energy: -11.278
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -14.872
Dist. restrs. and SS energy: 0.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -171.318141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.318141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.264624 (E_RNA)
where:
Base-Base interactions energy: -121.533
where: short stacking energy: -48.887
Base-Backbone interact. energy: -0.120
local terms energy: -57.611899
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -3.910
tors. eta vs tors. theta energy: -13.636
Dist. restrs. and SS energy: 7.946 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -237.678696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.678696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.737076 (E_RNA)
where:
Base-Base interactions energy: -168.372
where: short stacking energy: -70.494
Base-Backbone interact. energy: -0.669
local terms energy: -68.696057
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: -19.313
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -217.698442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.698442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.716990 (E_RNA)
where:
Base-Base interactions energy: -151.525
where: short stacking energy: -64.320
Base-Backbone interact. energy: -0.164
local terms energy: -66.027654
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -14.819
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -205.569294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.569294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.601829 (E_RNA)
where:
Base-Base interactions energy: -144.950
where: short stacking energy: -58.889
Base-Backbone interact. energy: -0.104
local terms energy: -60.547908
where:
bonds (distance) C4'-P energy: -10.420
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -13.786
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -219.836026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.836026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.884222 (E_RNA)
where:
Base-Base interactions energy: -152.647
where: short stacking energy: -58.864
Base-Backbone interact. energy: -0.124
local terms energy: -67.113825
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -14.296
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -204.158071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.158071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.497130 (E_RNA)
where:
Base-Base interactions energy: -143.591
where: short stacking energy: -60.624
Base-Backbone interact. energy: -0.005
local terms energy: -60.900358
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -9.699
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -15.096
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: 6, replica: 2
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -213.627547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.627547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.628924 (E_RNA)
where:
Base-Base interactions energy: -151.671
where: short stacking energy: -61.627
Base-Backbone interact. energy: -0.090
local terms energy: -61.867350
where:
bonds (distance) C4'-P energy: -10.884
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -16.998
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: 5
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -181.342657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.342657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.114575 (E_RNA)
where:
Base-Base interactions energy: -134.978
where: short stacking energy: -54.415
Base-Backbone interact. energy: -0.005
local terms energy: -53.131635
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -5.141
tors. eta vs tors. theta energy: -12.102
Dist. restrs. and SS energy: 6.772 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -201.617463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.617463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.123566 (E_RNA)
where:
Base-Base interactions energy: -140.146
where: short stacking energy: -55.189
Base-Backbone interact. energy: -0.000
local terms energy: -61.977731
where:
bonds (distance) C4'-P energy: -11.293
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -14.072
Dist. restrs. and SS energy: 0.506 (S_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: 188
Temperature: 1.300000
Total energy: -195.484544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.484544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.579186 (E_RNA)
where:
Base-Base interactions energy: -134.551
where: short stacking energy: -55.711
Base-Backbone interact. energy: -0.002
local terms energy: -61.025433
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -12.973
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: 4
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -175.070204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.070204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.463583 (E_RNA)
where:
Base-Base interactions energy: -127.230
where: short stacking energy: -54.992
Base-Backbone interact. energy: -0.345
local terms energy: -54.888895
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -10.377
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -13.573
Dist. restrs. and SS energy: 7.393 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -233.785635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.785635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.785635 (E_RNA)
where:
Base-Base interactions energy: -172.024
where: short stacking energy: -70.800
Base-Backbone interact. energy: -0.027
local terms energy: -61.734703
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -4.523
tors. eta vs tors. theta energy: -17.514
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: 189
Temperature: 0.950000
Total energy: -213.391823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.391823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.436505 (E_RNA)
where:
Base-Base interactions energy: -144.821
where: short stacking energy: -58.846
Base-Backbone interact. energy: -0.001
local terms energy: -68.614758
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -18.220
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: 189
Temperature: 1.000000
Total energy: -211.113918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.113918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.134745 (E_RNA)
where:
Base-Base interactions energy: -145.789
where: short stacking energy: -59.639
Base-Backbone interact. energy: -0.040
local terms energy: -65.305758
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -13.731
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: 1
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -205.282678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.282678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.586295 (E_RNA)
where:
Base-Base interactions energy: -148.482
where: short stacking energy: -57.888
Base-Backbone interact. energy: -0.189
local terms energy: -56.915190
where:
bonds (distance) C4'-P energy: -10.112
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -12.907
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -12.955
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: 5, replica: 3
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -220.185536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.185536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.366955 (E_RNA)
where:
Base-Base interactions energy: -155.329
where: short stacking energy: -62.450
Base-Backbone interact. energy: -0.164
local terms energy: -64.874362
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -6.922
tors. eta vs tors. theta energy: -15.330
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: 2
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -214.742290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.742290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.766143 (E_RNA)
where:
Base-Base interactions energy: -149.906
where: short stacking energy: -60.958
Base-Backbone interact. energy: -0.021
local terms energy: -64.838756
where:
bonds (distance) C4'-P energy: -9.594
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -16.673
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -180.468013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.468013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.034337 (E_RNA)
where:
Base-Base interactions energy: -130.164
where: short stacking energy: -49.498
Base-Backbone interact. energy: -0.047
local terms energy: -56.823493
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -11.476
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -10.024
Dist. restrs. and SS energy: 6.566 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -195.467927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.467927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.504452 (E_RNA)
where:
Base-Base interactions energy: -141.346
where: short stacking energy: -62.715
Base-Backbone interact. energy: 0.016
local terms energy: -54.174813
where:
bonds (distance) C4'-P energy: -7.888
bonds (distance) P-C4' energy: -9.486
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -16.606
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -205.874307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.874307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.910901 (E_RNA)
where:
Base-Base interactions energy: -154.055
where: short stacking energy: -60.866
Base-Backbone interact. energy: 0.023
local terms energy: -51.878874
where:
bonds (distance) C4'-P energy: -9.206
bonds (distance) P-C4' energy: -11.897
flat angles C4'-P-C4' energy: -11.395
flat angles P-C4'-P energy: -4.001
tors. eta vs tors. theta energy: -15.379
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: 4
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -172.287670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.287670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.263925 (E_RNA)
where:
Base-Base interactions energy: -125.547
where: short stacking energy: -52.260
Base-Backbone interact. energy: -0.025
local terms energy: -54.691766
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -10.569
flat angles C4'-P-C4' energy: -9.249
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: -15.109
Dist. restrs. and SS energy: 7.976 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -237.238713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.238713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.263011 (E_RNA)
where:
Base-Base interactions energy: -174.252
where: short stacking energy: -70.874
Base-Backbone interact. energy: -0.488
local terms energy: -62.522334
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -5.660
tors. eta vs tors. theta energy: -17.874
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: 190
Temperature: 0.950000
Total energy: -213.096164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.096164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.117899 (E_RNA)
where:
Base-Base interactions energy: -149.122
where: short stacking energy: -58.243
Base-Backbone interact. energy: -0.013
local terms energy: -63.982470
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -11.945
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -15.920
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -215.979935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.979935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.984602 (E_RNA)
where:
Base-Base interactions energy: -153.482
where: short stacking energy: -62.963
Base-Backbone interact. energy: 0.283
local terms energy: -62.785473
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -11.554
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -12.585
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -211.707755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.707755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.892155 (E_RNA)
where:
Base-Base interactions energy: -150.546
where: short stacking energy: -63.202
Base-Backbone interact. energy: -0.000
local terms energy: -61.345351
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -13.918
Dist. restrs. and SS energy: 0.184 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -219.110556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.110556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.123076 (E_RNA)
where:
Base-Base interactions energy: -154.771
where: short stacking energy: -57.340
Base-Backbone interact. energy: -0.005
local terms energy: -64.347595
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: -15.447
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: 3
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -207.427616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.427616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.427616 (E_RNA)
where:
Base-Base interactions energy: -150.069
where: short stacking energy: -61.610
Base-Backbone interact. energy: -0.000
local terms energy: -57.358173
where:
bonds (distance) C4'-P energy: -7.329
bonds (distance) P-C4' energy: -12.915
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -15.348
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -200.861103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.861103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.867516 (E_RNA)
where:
Base-Base interactions energy: -146.122
where: short stacking energy: -55.926
Base-Backbone interact. energy: 0.309
local terms energy: -55.055279
where:
bonds (distance) C4'-P energy: -11.789
bonds (distance) P-C4' energy: -10.387
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -7.374
tors. eta vs tors. theta energy: -12.541
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -192.351597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.351597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.794531 (E_RNA)
where:
Base-Base interactions energy: -134.080
where: short stacking energy: -50.697
Base-Backbone interact. energy: -1.790
local terms energy: -64.924841
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -15.361
Dist. restrs. and SS energy: 8.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -198.188388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.188388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.235825 (E_RNA)
where:
Base-Base interactions energy: -137.803
where: short stacking energy: -51.740
Base-Backbone interact. energy: -0.012
local terms energy: -60.420745
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -11.367
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -14.870
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: 190
Temperature: 1.350000
Total energy: -185.525336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.525336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.931737 (E_RNA)
where:
Base-Base interactions energy: -141.705
where: short stacking energy: -56.693
Base-Backbone interact. energy: 1.064
local terms energy: -52.289875
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -7.603
flat angles C4'-P-C4' energy: -8.788
flat angles P-C4'-P energy: -7.301
tors. eta vs tors. theta energy: -15.738
Dist. restrs. and SS energy: 7.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -222.757064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.757064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.837018 (E_RNA)
where:
Base-Base interactions energy: -161.976
where: short stacking energy: -64.131
Base-Backbone interact. energy: -0.301
local terms energy: -60.560618
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -2.386
tors. eta vs tors. theta energy: -17.040
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -215.551095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.551095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.634136 (E_RNA)
where:
Base-Base interactions energy: -149.887
where: short stacking energy: -61.454
Base-Backbone interact. energy: -0.292
local terms energy: -65.454692
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -13.097
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -17.422
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -214.907816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.907816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.940978 (E_RNA)
where:
Base-Base interactions energy: -143.898
where: short stacking energy: -61.417
Base-Backbone interact. energy: -0.002
local terms energy: -71.040211
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -17.626
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -208.218456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.218456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.289299 (E_RNA)
where:
Base-Base interactions energy: -149.393
where: short stacking energy: -62.553
Base-Backbone interact. energy: -0.001
local terms energy: -58.895262
where:
bonds (distance) C4'-P energy: -9.474
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -12.874
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -15.241
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: 6
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -211.909468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.909468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.909768 (E_RNA)
where:
Base-Base interactions energy: -145.536
where: short stacking energy: -57.713
Base-Backbone interact. energy: -0.012
local terms energy: -66.362408
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -16.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -218.468446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.468446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.605616 (E_RNA)
where:
Base-Base interactions energy: -148.001
where: short stacking energy: -63.421
Base-Backbone interact. energy: -0.004
local terms energy: -70.600970
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -18.275
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -202.662992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.662992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.712471 (E_RNA)
where:
Base-Base interactions energy: -140.395
where: short stacking energy: -55.834
Base-Backbone interact. energy: -0.063
local terms energy: -62.255291
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -9.330
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -15.895
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: 191
Temperature: 1.250000
Total energy: -200.756535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.756535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.820968 (E_RNA)
where:
Base-Base interactions energy: -153.041
where: short stacking energy: -58.482
Base-Backbone interact. energy: -0.323
local terms energy: -47.457360
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -7.267
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -4.370
tors. eta vs tors. theta energy: -10.105
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -177.118586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.118586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.758795 (E_RNA)
where:
Base-Base interactions energy: -123.696
where: short stacking energy: -59.211
Base-Backbone interact. energy: -0.000
local terms energy: -60.062583
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -10.097
flat angles P-C4'-P energy: -6.046
tors. eta vs tors. theta energy: -18.070
Dist. restrs. and SS energy: 6.640 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -182.572370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.572370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.422167 (E_RNA)
where:
Base-Base interactions energy: -135.969
where: short stacking energy: -54.501
Base-Backbone interact. energy: -0.287
local terms energy: -53.166397
where:
bonds (distance) C4'-P energy: -10.612
bonds (distance) P-C4' energy: -6.261
flat angles C4'-P-C4' energy: -12.410
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -15.359
Dist. restrs. and SS energy: 6.850 (S_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: 192
Temperature: 0.900000
Total energy: -235.826763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.826763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.826763 (E_RNA)
where:
Base-Base interactions energy: -171.602
where: short stacking energy: -69.180
Base-Backbone interact. energy: 0.404
local terms energy: -64.628223
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -3.469
tors. eta vs tors. theta energy: -15.546
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -224.919101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.919101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.953392 (E_RNA)
where:
Base-Base interactions energy: -169.085
where: short stacking energy: -67.494
Base-Backbone interact. energy: -0.163
local terms energy: -55.704951
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -10.844
flat angles P-C4'-P energy: -2.205
tors. eta vs tors. theta energy: -15.461
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -212.658282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.658282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.658282 (E_RNA)
where:
Base-Base interactions energy: -157.741
where: short stacking energy: -59.259
Base-Backbone interact. energy: -0.276
local terms energy: -54.641553
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -8.077
flat angles P-C4'-P energy: -6.485
tors. eta vs tors. theta energy: -15.225
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -211.264865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.264865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.320715 (E_RNA)
where:
Base-Base interactions energy: -158.587
where: short stacking energy: -66.578
Base-Backbone interact. energy: -0.599
local terms energy: -52.134320
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -5.231
flat angles C4'-P-C4' energy: -11.219
flat angles P-C4'-P energy: -4.641
tors. eta vs tors. theta energy: -17.225
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: 192
Temperature: 1.100000
Total energy: -205.557536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.557536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.626421 (E_RNA)
where:
Base-Base interactions energy: -143.871
where: short stacking energy: -58.525
Base-Backbone interact. energy: -0.004
local terms energy: -61.751483
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -6.830
tors. eta vs tors. theta energy: -15.222
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: 192
Temperature: 1.150000
Total energy: -208.147241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.147241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.203870 (E_RNA)
where:
Base-Base interactions energy: -141.404
where: short stacking energy: -56.065
Base-Backbone interact. energy: 0.140
local terms energy: -66.939998
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -11.990
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -202.177321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.177321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.302859 (E_RNA)
where:
Base-Base interactions energy: -142.751
where: short stacking energy: -56.850
Base-Backbone interact. energy: -0.125
local terms energy: -59.426487
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -11.160
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -13.134
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: 7
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -199.036305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.036305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.093403 (E_RNA)
where:
Base-Base interactions energy: -138.574
where: short stacking energy: -60.461
Base-Backbone interact. energy: -0.000
local terms energy: -60.518944
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -11.051
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -7.589
tors. eta vs tors. theta energy: -15.542
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: 4
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -173.468052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.468052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.696372 (E_RNA)
where:
Base-Base interactions energy: -126.346
where: short stacking energy: -47.538
Base-Backbone interact. energy: -0.408
local terms energy: -53.942439
where:
bonds (distance) C4'-P energy: -10.467
bonds (distance) P-C4' energy: -11.844
flat angles C4'-P-C4' energy: -8.144
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -14.099
Dist. restrs. and SS energy: 7.228 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -177.685993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.685993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.348440 (E_RNA)
where:
Base-Base interactions energy: -132.834
where: short stacking energy: -49.750
Base-Backbone interact. energy: -0.056
local terms energy: -52.459002
where:
bonds (distance) C4'-P energy: -7.760
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -5.923
tors. eta vs tors. theta energy: -13.210
Dist. restrs. and SS energy: 7.662 (S_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: 193
Temperature: 0.900000
Total energy: -233.472920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.472920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.519672 (E_RNA)
where:
Base-Base interactions energy: -169.346
where: short stacking energy: -69.646
Base-Backbone interact. energy: -0.007
local terms energy: -64.167434
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -6.325
tors. eta vs tors. theta energy: -18.228
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -219.174483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.174483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.363276 (E_RNA)
where:
Base-Base interactions energy: -161.798
where: short stacking energy: -64.048
Base-Backbone interact. energy: -0.213
local terms energy: -57.352526
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -11.864
flat angles C4'-P-C4' energy: -10.699
flat angles P-C4'-P energy: -6.710
tors. eta vs tors. theta energy: -13.850
Dist. restrs. and SS energy: 0.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -228.733965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.733965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.828302 (E_RNA)
where:
Base-Base interactions energy: -160.500
where: short stacking energy: -59.552
Base-Backbone interact. energy: -0.009
local terms energy: -68.318897
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -5.466
tors. eta vs tors. theta energy: -17.943
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -208.895350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.895350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.983080 (E_RNA)
where:
Base-Base interactions energy: -144.290
where: short stacking energy: -58.172
Base-Backbone interact. energy: -0.098
local terms energy: -64.594962
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -15.367
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: 193
Temperature: 1.100000
Total energy: -205.948060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.948060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.952007 (E_RNA)
where:
Base-Base interactions energy: -145.790
where: short stacking energy: -61.380
Base-Backbone interact. energy: -0.060
local terms energy: -60.101569
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -11.581
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -14.643
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -199.774905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.774905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.847488 (E_RNA)
where:
Base-Base interactions energy: -143.118
where: short stacking energy: -57.057
Base-Backbone interact. energy: -0.712
local terms energy: -56.017069
where:
bonds (distance) C4'-P energy: -8.178
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -13.545
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -12.960
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: 6
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -202.767941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.767941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.825499 (E_RNA)
where:
Base-Base interactions energy: -148.242
where: short stacking energy: -52.246
Base-Backbone interact. energy: -0.053
local terms energy: -54.529969
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -10.689
flat angles P-C4'-P energy: -4.602
tors. eta vs tors. theta energy: -14.179
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: 4
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -185.902313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.902313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.510499 (E_RNA)
where:
Base-Base interactions energy: -136.793
where: short stacking energy: -59.281
Base-Backbone interact. energy: -0.222
local terms energy: -56.495495
where:
bonds (distance) C4'-P energy: -6.849
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -14.495
Dist. restrs. and SS energy: 7.608 (S_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: 193
Temperature: 1.300000
Total energy: -197.017436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.017436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.059434 (E_RNA)
where:
Base-Base interactions energy: -134.891
where: short stacking energy: -53.507
Base-Backbone interact. energy: -0.579
local terms energy: -61.589795
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -10.899
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: 5
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -182.324043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.324043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.136189 (E_RNA)
where:
Base-Base interactions energy: -127.136
where: short stacking energy: -60.703
Base-Backbone interact. energy: -0.004
local terms energy: -62.996017
where:
bonds (distance) C4'-P energy: -9.900
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -16.754
Dist. restrs. and SS energy: 7.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -215.425384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.425384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.458124 (E_RNA)
where:
Base-Base interactions energy: -155.869
where: short stacking energy: -65.082
Base-Backbone interact. energy: -0.001
local terms energy: -59.588267
where:
bonds (distance) C4'-P energy: -10.414
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -10.012
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -14.256
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: 8
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -225.064343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.064343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.072441 (E_RNA)
where:
Base-Base interactions energy: -165.881
where: short stacking energy: -65.914
Base-Backbone interact. energy: -0.000
local terms energy: -59.190914
where:
bonds (distance) C4'-P energy: -9.754
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -6.342
tors. eta vs tors. theta energy: -15.286
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: 9
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -233.370971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.370971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.463503 (E_RNA)
where:
Base-Base interactions energy: -170.872
where: short stacking energy: -68.566
Base-Backbone interact. energy: -0.141
local terms energy: -62.450311
where:
bonds (distance) C4'-P energy: -11.787
bonds (distance) P-C4' energy: -12.367
flat angles C4'-P-C4' energy: -11.972
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -18.098
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: 194
Temperature: 1.050000
Total energy: -209.015200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.015200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.042269 (E_RNA)
where:
Base-Base interactions energy: -149.663
where: short stacking energy: -57.674
Base-Backbone interact. energy: -0.145
local terms energy: -59.234838
where:
bonds (distance) C4'-P energy: -10.543
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -11.067
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -14.368
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -203.253810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.253810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.318143 (E_RNA)
where:
Base-Base interactions energy: -140.960
where: short stacking energy: -61.886
Base-Backbone interact. energy: -0.130
local terms energy: -62.227969
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -16.301
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -205.307815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.307815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.517591 (E_RNA)
where:
Base-Base interactions energy: -142.204
where: short stacking energy: -52.849
Base-Backbone interact. energy: -0.539
local terms energy: -62.774063
where:
bonds (distance) C4'-P energy: -10.452
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -14.865
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: 6
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -198.831227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.831227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.934130 (E_RNA)
where:
Base-Base interactions energy: -138.741
where: short stacking energy: -61.203
Base-Backbone interact. energy: -0.000
local terms energy: -60.192730
where:
bonds (distance) C4'-P energy: -11.203
bonds (distance) P-C4' energy: -11.296
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -6.350
tors. eta vs tors. theta energy: -17.332
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: 194
Temperature: 1.250000
Total energy: -184.272641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.272641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.944391 (E_RNA)
where:
Base-Base interactions energy: -131.626
where: short stacking energy: -54.483
Base-Backbone interact. energy: -0.006
local terms energy: -60.311766
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -10.768
flat angles C4'-P-C4' energy: -11.274
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -14.532
Dist. restrs. and SS energy: 7.672 (S_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: 194
Temperature: 1.300000
Total energy: -200.076528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.076528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.101511 (E_RNA)
where:
Base-Base interactions energy: -142.889
where: short stacking energy: -53.096
Base-Backbone interact. energy: -0.003
local terms energy: -57.209569
where:
bonds (distance) C4'-P energy: -10.832
bonds (distance) P-C4' energy: -11.042
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -14.452
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -175.167296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.167296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.461207 (E_RNA)
where:
Base-Base interactions energy: -128.987
where: short stacking energy: -57.612
Base-Backbone interact. energy: -0.156
local terms energy: -52.318821
where:
bonds (distance) C4'-P energy: -8.204
bonds (distance) P-C4' energy: -8.727
flat angles C4'-P-C4' energy: -11.088
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -14.686
Dist. restrs. and SS energy: 6.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -222.924195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.924195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.993052 (E_RNA)
where:
Base-Base interactions energy: -154.622
where: short stacking energy: -63.866
Base-Backbone interact. energy: -0.578
local terms energy: -67.792512
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -17.275
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: 9
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -221.853160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.853160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.871513 (E_RNA)
where:
Base-Base interactions energy: -164.957
where: short stacking energy: -62.751
Base-Backbone interact. energy: -0.023
local terms energy: -56.891441
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -9.222
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -2.360
tors. eta vs tors. theta energy: -16.652
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: 8
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -218.518843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.518843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.558018 (E_RNA)
where:
Base-Base interactions energy: -147.918
where: short stacking energy: -66.372
Base-Backbone interact. energy: -0.002
local terms energy: -70.638138
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -10.495
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -18.375
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: 195
Temperature: 1.050000
Total energy: -219.620339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.620339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.626183 (E_RNA)
where:
Base-Base interactions energy: -158.260
where: short stacking energy: -57.100
Base-Backbone interact. energy: -0.544
local terms energy: -60.823147
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -12.099
flat angles P-C4'-P energy: -5.871
tors. eta vs tors. theta energy: -15.712
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -209.290561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.290561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.372466 (E_RNA)
where:
Base-Base interactions energy: -150.161
where: short stacking energy: -64.266
Base-Backbone interact. energy: -0.000
local terms energy: -59.210618
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -10.615
flat angles C4'-P-C4' energy: -10.277
flat angles P-C4'-P energy: -7.232
tors. eta vs tors. theta energy: -18.785
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: 3
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -205.022048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.022048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.077904 (E_RNA)
where:
Base-Base interactions energy: -141.446
where: short stacking energy: -60.112
Base-Backbone interact. energy: -0.043
local terms energy: -63.589292
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -12.339
flat angles C4'-P-C4' energy: -11.575
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -16.416
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: 6
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -202.260037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.260037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.299446 (E_RNA)
where:
Base-Base interactions energy: -152.175
where: short stacking energy: -65.533
Base-Backbone interact. energy: -0.602
local terms energy: -49.522673
where:
bonds (distance) C4'-P energy: -4.675
bonds (distance) P-C4' energy: -7.364
flat angles C4'-P-C4' energy: -10.622
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -16.380
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: 7
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -194.262017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.262017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.407211 (E_RNA)
where:
Base-Base interactions energy: -139.832
where: short stacking energy: -55.768
Base-Backbone interact. energy: -0.082
local terms energy: -54.493386
where:
bonds (distance) C4'-P energy: -11.660
bonds (distance) P-C4' energy: -9.763
flat angles C4'-P-C4' energy: -12.845
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: -13.207
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: 4
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -186.481860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.481860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.911413 (E_RNA)
where:
Base-Base interactions energy: -124.802
where: short stacking energy: -52.948
Base-Backbone interact. energy: 0.270
local terms energy: -69.379255
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -16.459
Dist. restrs. and SS energy: 7.430 (S_DIST_RNA)
chem. 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: -172.673747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.673747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.379280 (E_RNA)
where:
Base-Base interactions energy: -122.301
where: short stacking energy: -51.913
Base-Backbone interact. energy: 1.475
local terms energy: -59.553053
where:
bonds (distance) C4'-P energy: -11.854
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -9.342
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -14.154
Dist. restrs. and SS energy: 7.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -233.270920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.270920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.514332 (E_RNA)
where:
Base-Base interactions energy: -171.297
where: short stacking energy: -71.046
Base-Backbone interact. energy: -0.068
local terms energy: -62.149365
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -11.787
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -3.111
tors. eta vs tors. theta energy: -19.069
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: 2, replica: 2
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -216.173430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.173430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.241330 (E_RNA)
where:
Base-Base interactions energy: -154.856
where: short stacking energy: -60.381
Base-Backbone interact. energy: -0.000
local terms energy: -61.385329
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -6.601
tors. eta vs tors. theta energy: -13.592
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -228.508680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.508680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.718494 (E_RNA)
where:
Base-Base interactions energy: -164.686
where: short stacking energy: -63.615
Base-Backbone interact. energy: -0.001
local terms energy: -64.030797
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -2.706
tors. eta vs tors. theta energy: -17.143
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: 8
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -205.467328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.467328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.718541 (E_RNA)
where:
Base-Base interactions energy: -148.687
where: short stacking energy: -62.308
Base-Backbone interact. energy: -0.098
local terms energy: -56.933027
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -9.901
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -15.992
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: 3
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -213.384319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.384319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.425417 (E_RNA)
where:
Base-Base interactions energy: -151.136
where: short stacking energy: -59.326
Base-Backbone interact. energy: -0.013
local terms energy: -62.276343
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -11.446
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -14.947
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -206.844504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.844504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.844504 (E_RNA)
where:
Base-Base interactions energy: -143.947
where: short stacking energy: -56.581
Base-Backbone interact. energy: -0.574
local terms energy: -62.322549
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -11.013
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -17.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -197.390425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.390425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.438169 (E_RNA)
where:
Base-Base interactions energy: -135.648
where: short stacking energy: -52.090
Base-Backbone interact. energy: -0.013
local terms energy: -61.776943
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -12.021
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -16.472
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: 6
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -198.361142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.361142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.377593 (E_RNA)
where:
Base-Base interactions energy: -141.219
where: short stacking energy: -55.644
Base-Backbone interact. energy: -0.069
local terms energy: -57.089287
where:
bonds (distance) C4'-P energy: -12.141
bonds (distance) P-C4' energy: -10.866
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -9.486
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -188.348420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.348420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.355408 (E_RNA)
where:
Base-Base interactions energy: -138.570
where: short stacking energy: -54.029
Base-Backbone interact. energy: -0.876
local terms energy: -55.908855
where:
bonds (distance) C4'-P energy: -8.323
bonds (distance) P-C4' energy: -8.119
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -16.784
Dist. restrs. and SS energy: 7.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -175.958723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.958723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.958457 (E_RNA)
where:
Base-Base interactions energy: -119.051
where: short stacking energy: -49.993
Base-Backbone interact. energy: -0.171
local terms energy: -63.736892
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -7.342
tors. eta vs tors. theta energy: -15.423
Dist. restrs. and SS energy: 7.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -226.825962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.825962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.838114 (E_RNA)
where:
Base-Base interactions energy: -160.426
where: short stacking energy: -67.748
Base-Backbone interact. energy: -0.000
local terms energy: -66.411655
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -15.738
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -228.492451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.492451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.533914 (E_RNA)
where:
Base-Base interactions energy: -169.886
where: short stacking energy: -66.810
Base-Backbone interact. energy: -0.212
local terms energy: -58.436044
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -10.660
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -3.755
tors. eta vs tors. theta energy: -16.039
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -210.722161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.722161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.769856 (E_RNA)
where:
Base-Base interactions energy: -147.800
where: short stacking energy: -59.352
Base-Backbone interact. energy: -0.351
local terms energy: -62.618771
where:
bonds (distance) C4'-P energy: -10.821
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -11.791
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -15.277
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: 3
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -217.969314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.969314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.019727 (E_RNA)
where:
Base-Base interactions energy: -160.159
where: short stacking energy: -61.921
Base-Backbone interact. energy: -0.037
local terms energy: -57.824278
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -3.183
tors. eta vs tors. theta energy: -16.699
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -205.846692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.846692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.933483 (E_RNA)
where:
Base-Base interactions energy: -139.477
where: short stacking energy: -57.981
Base-Backbone interact. energy: -0.135
local terms energy: -66.320697
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -15.178
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -14.515
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: 7
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -204.593700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.593700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.610724 (E_RNA)
where:
Base-Base interactions energy: -140.054
where: short stacking energy: -57.404
Base-Backbone interact. energy: -0.051
local terms energy: -64.505654
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -8.243
tors. eta vs tors. theta energy: -15.424
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -201.390407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.390407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.397090 (E_RNA)
where:
Base-Base interactions energy: -142.005
where: short stacking energy: -59.055
Base-Backbone interact. energy: -1.229
local terms energy: -58.162740
where:
bonds (distance) C4'-P energy: -12.735
bonds (distance) P-C4' energy: -9.185
flat angles C4'-P-C4' energy: -12.100
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -16.373
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: 197
Temperature: 1.250000
Total energy: -191.023688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.023688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.048504 (E_RNA)
where:
Base-Base interactions energy: -137.903
where: short stacking energy: -55.296
Base-Backbone interact. energy: -0.002
local terms energy: -53.144089
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -12.010
flat angles C4'-P-C4' energy: -10.471
flat angles P-C4'-P energy: -5.604
tors. eta vs tors. theta energy: -12.101
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -180.078621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.078621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.200963 (E_RNA)
where:
Base-Base interactions energy: -130.384
where: short stacking energy: -52.093
Base-Backbone interact. energy: -0.007
local terms energy: -57.810370
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -6.408
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -17.526
Dist. restrs. and SS energy: 8.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -172.279506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.279506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.229111 (E_RNA)
where:
Base-Base interactions energy: -126.578
where: short stacking energy: -49.892
Base-Backbone interact. energy: -1.797
local terms energy: -51.854165
where:
bonds (distance) C4'-P energy: -9.229
bonds (distance) P-C4' energy: -9.232
flat angles C4'-P-C4' energy: -10.770
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -12.721
Dist. restrs. and SS energy: 7.950 (S_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: 198
Temperature: 0.900000
Total energy: -231.923100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.923100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.170517 (E_RNA)
where:
Base-Base interactions energy: -168.373
where: short stacking energy: -66.978
Base-Backbone interact. energy: -0.027
local terms energy: -63.769747
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -11.236
flat angles P-C4'-P energy: -5.289
tors. eta vs tors. theta energy: -19.164
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: 2, replica: 9
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -228.837024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.837024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.965124 (E_RNA)
where:
Base-Base interactions energy: -160.235
where: short stacking energy: -72.117
Base-Backbone interact. energy: -0.041
local terms energy: -68.688729
where:
bonds (distance) C4'-P energy: -9.727
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -19.201
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: 3, replica: 3
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -214.111726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.111726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.459177 (E_RNA)
where:
Base-Base interactions energy: -148.565
where: short stacking energy: -58.219
Base-Backbone interact. energy: -0.003
local terms energy: -65.891136
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -17.283
Dist. restrs. and SS energy: 0.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -214.309067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.309067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.334564 (E_RNA)
where:
Base-Base interactions energy: -150.027
where: short stacking energy: -57.819
Base-Backbone interact. energy: -0.289
local terms energy: -64.019322
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: -15.515
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: 198
Temperature: 1.100000
Total energy: -206.613715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.613715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.633878 (E_RNA)
where:
Base-Base interactions energy: -147.333
where: short stacking energy: -60.345
Base-Backbone interact. energy: -0.125
local terms energy: -59.176014
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -9.363
flat angles C4'-P-C4' energy: -10.645
flat angles P-C4'-P energy: -8.682
tors. eta vs tors. theta energy: -17.165
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -213.946594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.946594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.947866 (E_RNA)
where:
Base-Base interactions energy: -155.504
where: short stacking energy: -58.462
Base-Backbone interact. energy: -0.017
local terms energy: -58.427456
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -11.038
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -4.792
tors. eta vs tors. theta energy: -15.033
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: 1
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -207.039320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.039320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.039320 (E_RNA)
where:
Base-Base interactions energy: -143.394
where: short stacking energy: -58.272
Base-Backbone interact. energy: -0.090
local terms energy: -63.555467
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -11.635
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -15.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -196.041863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.041863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.121743 (E_RNA)
where:
Base-Base interactions energy: -137.647
where: short stacking energy: -54.037
Base-Backbone interact. energy: -0.059
local terms energy: -58.415009
where:
bonds (distance) C4'-P energy: -7.181
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -13.027
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: 4
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -178.304825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.304825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.820694 (E_RNA)
where:
Base-Base interactions energy: -130.132
where: short stacking energy: -57.808
Base-Backbone interact. energy: -1.853
local terms energy: -53.835087
where:
bonds (distance) C4'-P energy: -8.500
bonds (distance) P-C4' energy: -8.659
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -7.366
tors. eta vs tors. theta energy: -15.704
Dist. restrs. and SS energy: 7.516 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -176.956112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.956112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.435543 (E_RNA)
where:
Base-Base interactions energy: -135.300
where: short stacking energy: -54.647
Base-Backbone interact. energy: 1.857
local terms energy: -49.992570
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -6.487
flat angles C4'-P-C4' energy: -11.363
flat angles P-C4'-P energy: -7.732
tors. eta vs tors. theta energy: -13.620
Dist. restrs. and SS energy: 6.479 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -235.162758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.162758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.178930 (E_RNA)
where:
Base-Base interactions energy: -172.602
where: short stacking energy: -73.886
Base-Backbone interact. energy: -0.102
local terms energy: -62.474536
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -4.906
tors. eta vs tors. theta energy: -16.832
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -217.088898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.088898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.096781 (E_RNA)
where:
Base-Base interactions energy: -146.819
where: short stacking energy: -60.143
Base-Backbone interact. energy: 0.229
local terms energy: -70.506854
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -12.149
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -17.367
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: 9
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -210.193785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.193785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.252690 (E_RNA)
where:
Base-Base interactions energy: -145.236
where: short stacking energy: -60.329
Base-Backbone interact. energy: -0.053
local terms energy: -64.963342
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -11.981
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -15.185
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -211.076262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.076262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.080052 (E_RNA)
where:
Base-Base interactions energy: -146.167
where: short stacking energy: -56.013
Base-Backbone interact. energy: -0.182
local terms energy: -64.731626
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -16.688
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -210.192501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.192501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.218685 (E_RNA)
where:
Base-Base interactions energy: -142.944
where: short stacking energy: -57.803
Base-Backbone interact. energy: -0.001
local terms energy: -67.273017
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -9.167
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -19.297
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -200.742561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.742561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.958762 (E_RNA)
where:
Base-Base interactions energy: -135.143
where: short stacking energy: -57.549
Base-Backbone interact. energy: -0.151
local terms energy: -65.664479
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -10.960
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -17.573
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: 1
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -198.188766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.188766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.279008 (E_RNA)
where:
Base-Base interactions energy: -141.376
where: short stacking energy: -58.932
Base-Backbone interact. energy: -0.011
local terms energy: -56.891864
where:
bonds (distance) C4'-P energy: -8.600
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -9.298
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: -17.508
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -192.427770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.427770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.311960 (E_RNA)
where:
Base-Base interactions energy: -137.446
where: short stacking energy: -61.113
Base-Backbone interact. energy: -0.001
local terms energy: -62.865741
where:
bonds (distance) C4'-P energy: -10.699
bonds (distance) P-C4' energy: -11.164
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -18.590
Dist. restrs. and SS energy: 7.884 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -195.582221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.582221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.600789 (E_RNA)
where:
Base-Base interactions energy: -136.231
where: short stacking energy: -58.100
Base-Backbone interact. energy: -0.100
local terms energy: -59.269752
where:
bonds (distance) C4'-P energy: -9.308
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -10.784
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -14.928
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: 199
Temperature: 1.350000
Total energy: -178.092385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.092385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.457440 (E_RNA)
where:
Base-Base interactions energy: -125.946
where: short stacking energy: -51.390
Base-Backbone interact. energy: -0.509
local terms energy: -59.002321
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -11.954
flat angles C4'-P-C4' energy: -6.920
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -16.678
Dist. restrs. and SS energy: 7.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -219.135900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.135900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.140462 (E_RNA)
where:
Base-Base interactions energy: -147.514
where: short stacking energy: -60.603
Base-Backbone interact. energy: -0.169
local terms energy: -71.457214
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -8.944
tors. eta vs tors. theta energy: -16.238
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: 10
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -214.292888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.292888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.316793 (E_RNA)
where:
Base-Base interactions energy: -148.965
where: short stacking energy: -62.592
Base-Backbone interact. energy: -0.301
local terms energy: -65.050974
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -19.085
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -213.146557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.146557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.179645 (E_RNA)
where:
Base-Base interactions energy: -154.970
where: short stacking energy: -67.004
Base-Backbone interact. energy: -0.000
local terms energy: -58.209029
where:
bonds (distance) C4'-P energy: -4.641
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: -17.276
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -211.573543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.573543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.649416 (E_RNA)
where:
Base-Base interactions energy: -147.512
where: short stacking energy: -63.195
Base-Backbone interact. energy: -0.028
local terms energy: -64.109907
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -9.840
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -18.134
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -213.505058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.505058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.605843 (E_RNA)
where:
Base-Base interactions energy: -149.298
where: short stacking energy: -64.425
Base-Backbone interact. energy: -0.008
local terms energy: -64.300254
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -11.552
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -16.304
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -207.463581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.463581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.509171 (E_RNA)
where:
Base-Base interactions energy: -150.611
where: short stacking energy: -57.630
Base-Backbone interact. energy: -0.074
local terms energy: -56.824099
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -11.047
flat angles C4'-P-C4' energy: -11.262
flat angles P-C4'-P energy: -1.802
tors. eta vs tors. theta energy: -17.890
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -203.560153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.560153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.748858 (E_RNA)
where:
Base-Base interactions energy: -144.805
where: short stacking energy: -61.221
Base-Backbone interact. energy: -0.001
local terms energy: -58.943196
where:
bonds (distance) C4'-P energy: -11.391
bonds (distance) P-C4' energy: -12.667
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -13.527
Dist. restrs. and SS energy: 0.189 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -177.207335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.207335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.717884 (E_RNA)
where:
Base-Base interactions energy: -129.957
where: short stacking energy: -62.078
Base-Backbone interact. energy: -0.199
local terms energy: -55.561210
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -7.900
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -6.070
tors. eta vs tors. theta energy: -15.233
Dist. restrs. and SS energy: 8.511 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -170.364879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.364879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.754578 (E_RNA)
where:
Base-Base interactions energy: -125.044
where: short stacking energy: -52.613
Base-Backbone interact. energy: -0.004
local terms energy: -52.706906
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -9.887
flat angles C4'-P-C4' energy: -8.976
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -13.614
Dist. restrs. and SS energy: 7.390 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -192.975502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.975502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.975502 (E_RNA)
where:
Base-Base interactions energy: -136.301
where: short stacking energy: -59.550
Base-Backbone interact. energy: -0.252
local terms energy: -56.422094
where:
bonds (distance) C4'-P energy: -9.598
bonds (distance) P-C4' energy: -11.039
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -6.669
tors. eta vs tors. theta energy: -14.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -216.716681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.716681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.733141 (E_RNA)
where:
Base-Base interactions energy: -150.906
where: short stacking energy: -64.016
Base-Backbone interact. energy: -0.048
local terms energy: -65.778739
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -16.757
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -214.934256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.934256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.967382 (E_RNA)
where:
Base-Base interactions energy: -148.387
where: short stacking energy: -63.910
Base-Backbone interact. energy: -0.028
local terms energy: -66.553008
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -14.973
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -203.070568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.070568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.165341 (E_RNA)
where:
Base-Base interactions energy: -140.047
where: short stacking energy: -54.547
Base-Backbone interact. energy: -0.047
local terms energy: -63.071822
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -11.520
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -8.634
tors. eta vs tors. theta energy: -14.313
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -210.814158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.814158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.971788 (E_RNA)
where:
Base-Base interactions energy: -149.963
where: short stacking energy: -64.429
Base-Backbone interact. energy: 0.301
local terms energy: -61.309915
where:
bonds (distance) C4'-P energy: -9.246
bonds (distance) P-C4' energy: -9.925
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -17.142
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: 9
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -210.372740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.372740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.438528 (E_RNA)
where:
Base-Base interactions energy: -143.778
where: short stacking energy: -59.615
Base-Backbone interact. energy: -0.689
local terms energy: -65.971148
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -9.724
tors. eta vs tors. theta energy: -13.253
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -207.352809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.352809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.370311 (E_RNA)
where:
Base-Base interactions energy: -153.037
where: short stacking energy: -59.677
Base-Backbone interact. energy: 1.339
local terms energy: -55.671960
where:
bonds (distance) C4'-P energy: -11.949
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -9.586
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: -13.257
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: 7
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -208.797847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.797847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.916245 (E_RNA)
where:
Base-Base interactions energy: -139.957
where: short stacking energy: -62.123
Base-Backbone interact. energy: -0.002
local terms energy: -68.957110
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -10.949
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -17.798
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: 201
Temperature: 1.250000
Total energy: -189.049455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.049455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.156707 (E_RNA)
where:
Base-Base interactions energy: -138.155
where: short stacking energy: -58.863
Base-Backbone interact. energy: -0.071
local terms energy: -58.930477
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -3.223
tors. eta vs tors. theta energy: -15.108
Dist. restrs. and SS energy: 8.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -186.417331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.417331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.793234 (E_RNA)
where:
Base-Base interactions energy: -140.486
where: short stacking energy: -50.502
Base-Backbone interact. energy: 0.192
local terms energy: -53.499687
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -10.548
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -7.743
tors. eta vs tors. theta energy: -10.536
Dist. restrs. and SS energy: 7.376 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -189.892023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.892023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.916145 (E_RNA)
where:
Base-Base interactions energy: -133.983
where: short stacking energy: -40.995
Base-Backbone interact. energy: -0.232
local terms energy: -55.701129
where:
bonds (distance) C4'-P energy: -9.966
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -12.424
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: 1, replica: 2
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -222.087223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.087223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.154818 (E_RNA)
where:
Base-Base interactions energy: -155.937
where: short stacking energy: -60.434
Base-Backbone interact. energy: -0.125
local terms energy: -66.092570
where:
bonds (distance) C4'-P energy: -11.171
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -17.991
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -222.926250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.926250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.962016 (E_RNA)
where:
Base-Base interactions energy: -161.125
where: short stacking energy: -61.877
Base-Backbone interact. energy: -0.000
local terms energy: -61.836194
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -12.108
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: 202
Temperature: 1.000000
Total energy: -211.554045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.554045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.694811 (E_RNA)
where:
Base-Base interactions energy: -144.748
where: short stacking energy: -58.928
Base-Backbone interact. energy: -0.000
local terms energy: -66.946951
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -15.427
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -218.474572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.474572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.522144 (E_RNA)
where:
Base-Base interactions energy: -163.163
where: short stacking energy: -66.176
Base-Backbone interact. energy: -0.200
local terms energy: -55.159112
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -8.850
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -6.511
tors. eta vs tors. theta energy: -16.139
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -215.837507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.837507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.950554 (E_RNA)
where:
Base-Base interactions energy: -159.300
where: short stacking energy: -60.988
Base-Backbone interact. energy: 2.227
local terms energy: -58.878055
where:
bonds (distance) C4'-P energy: -10.783
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -8.102
tors. eta vs tors. theta energy: -15.412
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: 9
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -203.642855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.642855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.697080 (E_RNA)
where:
Base-Base interactions energy: -141.950
where: short stacking energy: -57.092
Base-Backbone interact. energy: 0.248
local terms energy: -61.995957
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -10.692
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: 7
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -209.495574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.495574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.532072 (E_RNA)
where:
Base-Base interactions energy: -145.049
where: short stacking energy: -60.800
Base-Backbone interact. energy: -0.002
local terms energy: -64.480204
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -16.594
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -180.968081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.968081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.422381 (E_RNA)
where:
Base-Base interactions energy: -127.923
where: short stacking energy: -50.658
Base-Backbone interact. energy: -0.283
local terms energy: -60.216139
where:
bonds (distance) C4'-P energy: -11.771
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -13.695
Dist. restrs. and SS energy: 7.454 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -192.338994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.338994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.524134 (E_RNA)
where:
Base-Base interactions energy: -137.809
where: short stacking energy: -55.687
Base-Backbone interact. energy: -0.000
local terms energy: -54.714698
where:
bonds (distance) C4'-P energy: -11.650
bonds (distance) P-C4' energy: -7.207
flat angles C4'-P-C4' energy: -9.864
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -15.858
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: 10, replica: 4
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -183.101205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.101205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.649236 (E_RNA)
where:
Base-Base interactions energy: -133.126
where: short stacking energy: -55.171
Base-Backbone interact. energy: 0.299
local terms energy: -58.822261
where:
bonds (distance) C4'-P energy: -9.514
bonds (distance) P-C4' energy: -10.689
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -18.103
Dist. restrs. and SS energy: 8.548 (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: 2
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -227.802894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.802894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.888639 (E_RNA)
where:
Base-Base interactions energy: -167.134
where: short stacking energy: -65.720
Base-Backbone interact. energy: -0.067
local terms energy: -60.687301
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -4.378
tors. eta vs tors. theta energy: -15.953
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -220.736514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.736514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.986652 (E_RNA)
where:
Base-Base interactions energy: -151.315
where: short stacking energy: -62.992
Base-Backbone interact. energy: -0.001
local terms energy: -69.670801
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -16.578
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: 3, replica: 3
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -216.973797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.973797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.286249 (E_RNA)
where:
Base-Base interactions energy: -156.913
where: short stacking energy: -63.296
Base-Backbone interact. energy: 0.265
local terms energy: -60.638147
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -11.291
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -13.466
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: 4, replica: 1
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -218.387553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.387553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.410230 (E_RNA)
where:
Base-Base interactions energy: -155.230
where: short stacking energy: -61.657
Base-Backbone interact. energy: -0.002
local terms energy: -63.178222
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -9.896
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -16.995
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: 8
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -208.238450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.238450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.238450 (E_RNA)
where:
Base-Base interactions energy: -143.395
where: short stacking energy: -53.355
Base-Backbone interact. energy: -0.003
local terms energy: -64.839824
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -15.753
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -205.588560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.588560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.660675 (E_RNA)
where:
Base-Base interactions energy: -145.508
where: short stacking energy: -61.794
Base-Backbone interact. energy: -0.135
local terms energy: -60.017701
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -11.064
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -14.851
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -213.535439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.535439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.535439 (E_RNA)
where:
Base-Base interactions energy: -158.620
where: short stacking energy: -57.562
Base-Backbone interact. energy: -0.630
local terms energy: -54.285712
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -8.428
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -3.391
tors. eta vs tors. theta energy: -17.675
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -205.966123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.966123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.988158 (E_RNA)
where:
Base-Base interactions energy: -149.008
where: short stacking energy: -61.270
Base-Backbone interact. energy: -0.097
local terms energy: -56.883919
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -4.683
tors. eta vs tors. theta energy: -14.494
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -183.439147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.439147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.180358 (E_RNA)
where:
Base-Base interactions energy: -133.494
where: short stacking energy: -58.481
Base-Backbone interact. energy: -0.005
local terms energy: -57.681107
where:
bonds (distance) C4'-P energy: -9.543
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -4.907
tors. eta vs tors. theta energy: -16.826
Dist. restrs. and SS energy: 7.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -175.167527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.167527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.629771 (E_RNA)
where:
Base-Base interactions energy: -123.372
where: short stacking energy: -50.098
Base-Backbone interact. energy: -1.094
local terms energy: -58.163804
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -14.946
flat angles C4'-P-C4' energy: -10.655
flat angles P-C4'-P energy: -6.063
tors. eta vs tors. theta energy: -12.848
Dist. restrs. and SS energy: 7.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -237.257310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.257310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.284000 (E_RNA)
where:
Base-Base interactions energy: -175.923
where: short stacking energy: -74.257
Base-Backbone interact. energy: -0.098
local terms energy: -61.263502
where:
bonds (distance) C4'-P energy: -10.007
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -18.403
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: 204
Temperature: 0.950000
Total energy: -212.638238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.638238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.749784 (E_RNA)
where:
Base-Base interactions energy: -153.405
where: short stacking energy: -61.565
Base-Backbone interact. energy: -0.486
local terms energy: -58.859228
where:
bonds (distance) C4'-P energy: -12.440
bonds (distance) P-C4' energy: -10.402
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -15.177
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -226.917050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.917050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.067533 (E_RNA)
where:
Base-Base interactions energy: -159.372
where: short stacking energy: -67.069
Base-Backbone interact. energy: -0.000
local terms energy: -67.695431
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -19.039
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: 204
Temperature: 1.050000
Total energy: -208.338322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.338322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.395073 (E_RNA)
where:
Base-Base interactions energy: -144.891
where: short stacking energy: -60.802
Base-Backbone interact. energy: -0.018
local terms energy: -63.485878
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -13.507
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -205.722789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.722789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.742231 (E_RNA)
where:
Base-Base interactions energy: -147.861
where: short stacking energy: -61.523
Base-Backbone interact. energy: -0.010
local terms energy: -57.871277
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -10.766
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -16.459
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -210.548946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.548946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.573272 (E_RNA)
where:
Base-Base interactions energy: -150.285
where: short stacking energy: -59.840
Base-Backbone interact. energy: -0.041
local terms energy: -60.246639
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -11.628
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: -16.618
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -201.714361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.714361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.937066 (E_RNA)
where:
Base-Base interactions energy: -138.165
where: short stacking energy: -54.473
Base-Backbone interact. energy: -0.033
local terms energy: -63.739084
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -13.820
Dist. restrs. and SS energy: 0.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -192.448073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.448073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.617322 (E_RNA)
where:
Base-Base interactions energy: -139.570
where: short stacking energy: -52.626
Base-Backbone interact. energy: -0.034
local terms energy: -53.013753
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -9.675
flat angles C4'-P-C4' energy: -11.891
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -11.423
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: 4
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -177.468454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.468454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.010362 (E_RNA)
where:
Base-Base interactions energy: -128.696
where: short stacking energy: -52.107
Base-Backbone interact. energy: -0.020
local terms energy: -56.294538
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -11.409
flat angles P-C4'-P energy: -6.773
tors. eta vs tors. theta energy: -12.904
Dist. restrs. and SS energy: 7.542 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -172.359806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.359806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.453422 (E_RNA)
where:
Base-Base interactions energy: -132.108
where: short stacking energy: -55.791
Base-Backbone interact. energy: -1.153
local terms energy: -46.192485
where:
bonds (distance) C4'-P energy: -7.983
bonds (distance) P-C4' energy: -8.305
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -9.242
Dist. restrs. and SS energy: 7.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -232.625734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.625734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.625734 (E_RNA)
where:
Base-Base interactions energy: -168.949
where: short stacking energy: -69.517
Base-Backbone interact. energy: -0.003
local terms energy: -63.673556
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -13.769
flat angles P-C4'-P energy: -5.096
tors. eta vs tors. theta energy: -19.113
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -222.603763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.603763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.660320 (E_RNA)
where:
Base-Base interactions energy: -157.963
where: short stacking energy: -63.099
Base-Backbone interact. energy: -0.041
local terms energy: -64.656217
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -7.798
tors. eta vs tors. theta energy: -16.682
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -218.907591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.907591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.960116 (E_RNA)
where:
Base-Base interactions energy: -145.049
where: short stacking energy: -58.677
Base-Backbone interact. energy: -0.944
local terms energy: -72.967435
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -16.848
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -213.631610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.631610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.836237 (E_RNA)
where:
Base-Base interactions energy: -149.254
where: short stacking energy: -62.333
Base-Backbone interact. energy: -0.001
local terms energy: -64.581185
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -16.437
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: 7
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -205.749788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.749788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.789095 (E_RNA)
where:
Base-Base interactions energy: -146.833
where: short stacking energy: -62.019
Base-Backbone interact. energy: -0.002
local terms energy: -58.953896
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -11.645
flat angles C4'-P-C4' energy: -10.870
flat angles P-C4'-P energy: -6.764
tors. eta vs tors. theta energy: -15.304
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -224.133565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.133565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.166561 (E_RNA)
where:
Base-Base interactions energy: -161.883
where: short stacking energy: -66.535
Base-Backbone interact. energy: -0.165
local terms energy: -62.119240
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -1.375
tors. eta vs tors. theta energy: -18.766
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -207.753487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.753487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.845197 (E_RNA)
where:
Base-Base interactions energy: -145.704
where: short stacking energy: -53.282
Base-Backbone interact. energy: -0.333
local terms energy: -61.808279
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -11.489
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: -14.568
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: 4
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -179.197138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.197138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.866413 (E_RNA)
where:
Base-Base interactions energy: -135.388
where: short stacking energy: -57.535
Base-Backbone interact. energy: -0.269
local terms energy: -51.209698
where:
bonds (distance) C4'-P energy: -7.313
bonds (distance) P-C4' energy: -10.815
flat angles C4'-P-C4' energy: -10.556
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -13.958
Dist. restrs. and SS energy: 7.669 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -195.947239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.947239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.977468 (E_RNA)
where:
Base-Base interactions energy: -143.155
where: short stacking energy: -57.288
Base-Backbone interact. energy: 1.075
local terms energy: -53.897914
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -6.200
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -16.445
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: 205
Temperature: 1.350000
Total energy: -168.978850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.978850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.251537 (E_RNA)
where:
Base-Base interactions energy: -122.178
where: short stacking energy: -52.933
Base-Backbone interact. energy: -0.001
local terms energy: -57.072454
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -9.811
flat angles C4'-P-C4' energy: -11.206
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -15.212
Dist. restrs. and SS energy: 10.273 (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: 10
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -219.274747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.274747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.301076 (E_RNA)
where:
Base-Base interactions energy: -152.970
where: short stacking energy: -63.062
Base-Backbone interact. energy: -0.000
local terms energy: -66.330814
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -13.306
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -12.619
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -227.302991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.302991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.308933 (E_RNA)
where:
Base-Base interactions energy: -168.845
where: short stacking energy: -67.526
Base-Backbone interact. energy: -0.001
local terms energy: -58.463014
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -2.648
tors. eta vs tors. theta energy: -16.574
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: 1
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -212.722048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.722048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.856147 (E_RNA)
where:
Base-Base interactions energy: -147.483
where: short stacking energy: -55.090
Base-Backbone interact. energy: 0.299
local terms energy: -65.672803
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -12.886
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -12.925
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: 206
Temperature: 1.050000
Total energy: -210.595360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.595360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.599878 (E_RNA)
where:
Base-Base interactions energy: -144.273
where: short stacking energy: -59.191
Base-Backbone interact. energy: 0.231
local terms energy: -66.557723
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -16.394
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: 6
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -209.542972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.542972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.742978 (E_RNA)
where:
Base-Base interactions energy: -155.853
where: short stacking energy: -59.801
Base-Backbone interact. energy: -0.001
local terms energy: -53.888620
where:
bonds (distance) C4'-P energy: -9.656
bonds (distance) P-C4' energy: -11.839
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -3.926
tors. eta vs tors. theta energy: -15.244
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: 7
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -207.652757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.652757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.728187 (E_RNA)
where:
Base-Base interactions energy: -148.154
where: short stacking energy: -62.853
Base-Backbone interact. energy: -0.006
local terms energy: -59.567681
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: -14.718
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: 206
Temperature: 1.200000
Total energy: -205.047057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.047057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.058821 (E_RNA)
where:
Base-Base interactions energy: -143.063
where: short stacking energy: -59.229
Base-Backbone interact. energy: -0.354
local terms energy: -61.642481
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -13.388
flat angles C4'-P-C4' energy: -9.193
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -15.510
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -179.686368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.686368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.529318 (E_RNA)
where:
Base-Base interactions energy: -128.375
where: short stacking energy: -55.186
Base-Backbone interact. energy: -0.012
local terms energy: -59.141683
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -8.592
flat angles C4'-P-C4' energy: -12.209
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -16.511
Dist. restrs. and SS energy: 7.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -175.967515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.967515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.312810 (E_RNA)
where:
Base-Base interactions energy: -119.520
where: short stacking energy: -48.058
Base-Backbone interact. energy: -0.656
local terms energy: -63.136514
where:
bonds (distance) C4'-P energy: -11.598
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -8.367
tors. eta vs tors. theta energy: -14.556
Dist. restrs. and SS energy: 7.345 (S_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: -191.535915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.535915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.543896 (E_RNA)
where:
Base-Base interactions energy: -132.552
where: short stacking energy: -51.862
Base-Backbone interact. energy: -0.001
local terms energy: -58.991503
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -10.691
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -12.482
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: 10
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -229.802804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.802804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.907978 (E_RNA)
where:
Base-Base interactions energy: -168.551
where: short stacking energy: -60.555
Base-Backbone interact. energy: -0.151
local terms energy: -61.205657
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -3.612
tors. eta vs tors. theta energy: -15.393
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: 1
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -209.996245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.996245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.031706 (E_RNA)
where:
Base-Base interactions energy: -149.017
where: short stacking energy: -62.724
Base-Backbone interact. energy: 1.068
local terms energy: -62.082713
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -16.230
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: 2
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -216.164892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.164892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.194136 (E_RNA)
where:
Base-Base interactions energy: -157.800
where: short stacking energy: -59.172
Base-Backbone interact. energy: -0.003
local terms energy: -58.390815
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -3.954
tors. eta vs tors. theta energy: -14.131
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -204.033023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.033023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.040431 (E_RNA)
where:
Base-Base interactions energy: -142.866
where: short stacking energy: -59.087
Base-Backbone interact. energy: -0.010
local terms energy: -61.165185
where:
bonds (distance) C4'-P energy: -8.431
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -14.793
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -207.350770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.350770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.431035 (E_RNA)
where:
Base-Base interactions energy: -143.796
where: short stacking energy: -68.050
Base-Backbone interact. energy: -0.001
local terms energy: -63.634122
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -6.608
tors. eta vs tors. theta energy: -17.236
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: 6, replica: 7
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -202.993765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.993765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.993765 (E_RNA)
where:
Base-Base interactions energy: -142.808
where: short stacking energy: -52.617
Base-Backbone interact. energy: -0.108
local terms energy: -60.077927
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -8.934
flat angles C4'-P-C4' energy: -11.863
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -14.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -196.101843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.101843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.383173 (E_RNA)
where:
Base-Base interactions energy: -139.023
where: short stacking energy: -50.845
Base-Backbone interact. energy: -0.179
local terms energy: -57.181358
where:
bonds (distance) C4'-P energy: -10.674
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -14.204
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -9.211
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: 4
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -189.851587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.851587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.034472 (E_RNA)
where:
Base-Base interactions energy: -142.006
where: short stacking energy: -60.709
Base-Backbone interact. energy: -0.004
local terms energy: -55.024503
where:
bonds (distance) C4'-P energy: -8.981
bonds (distance) P-C4' energy: -7.682
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -6.980
tors. eta vs tors. theta energy: -17.597
Dist. restrs. and SS energy: 7.183 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -173.556195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.556195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.360090 (E_RNA)
where:
Base-Base interactions energy: -126.395
where: short stacking energy: -43.339
Base-Backbone interact. energy: -0.144
local terms energy: -53.821244
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -12.144
flat angles C4'-P-C4' energy: -9.533
flat angles P-C4'-P energy: -6.717
tors. eta vs tors. theta energy: -10.294
Dist. restrs. and SS energy: 6.804 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -194.654307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.654307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.802797 (E_RNA)
where:
Base-Base interactions energy: -140.346
where: short stacking energy: -52.019
Base-Backbone interact. energy: -0.133
local terms energy: -54.323460
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -9.455
flat angles C4'-P-C4' energy: -13.282
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -12.522
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -234.088999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.088999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.105703 (E_RNA)
where:
Base-Base interactions energy: -167.951
where: short stacking energy: -65.217
Base-Backbone interact. energy: -0.049
local terms energy: -66.105556
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -5.475
tors. eta vs tors. theta energy: -17.276
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -221.773690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.773690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.789489 (E_RNA)
where:
Base-Base interactions energy: -151.839
where: short stacking energy: -61.715
Base-Backbone interact. energy: -0.000
local terms energy: -69.949917
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -17.362
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -216.294343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.294343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.347722 (E_RNA)
where:
Base-Base interactions energy: -157.408
where: short stacking energy: -64.202
Base-Backbone interact. energy: -0.035
local terms energy: -58.904642
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -9.927
flat angles P-C4'-P energy: -5.328
tors. eta vs tors. theta energy: -16.042
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: 208
Temperature: 1.050000
Total energy: -210.197651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.197651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.258392 (E_RNA)
where:
Base-Base interactions energy: -149.891
where: short stacking energy: -60.677
Base-Backbone interact. energy: 0.247
local terms energy: -60.614779
where:
bonds (distance) C4'-P energy: -11.576
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -11.753
flat angles P-C4'-P energy: -8.159
tors. eta vs tors. theta energy: -14.505
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: 7
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -210.661691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.661691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.679435 (E_RNA)
where:
Base-Base interactions energy: -147.320
where: short stacking energy: -59.020
Base-Backbone interact. energy: -0.009
local terms energy: -63.350385
where:
bonds (distance) C4'-P energy: -9.378
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -16.199
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: 3
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -222.421754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.421754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.623675 (E_RNA)
where:
Base-Base interactions energy: -158.838
where: short stacking energy: -61.782
Base-Backbone interact. energy: -0.106
local terms energy: -63.679477
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -9.598
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -17.729
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: 7, replica: 8
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -196.919656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.919656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.198578 (E_RNA)
where:
Base-Base interactions energy: -139.967
where: short stacking energy: -59.804
Base-Backbone interact. energy: -0.003
local terms energy: -57.228317
where:
bonds (distance) C4'-P energy: -7.478
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -5.147
tors. eta vs tors. theta energy: -16.087
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: 8, replica: 4
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -191.028567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.028567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.705870 (E_RNA)
where:
Base-Base interactions energy: -139.427
where: short stacking energy: -54.204
Base-Backbone interact. energy: -0.684
local terms energy: -59.595272
where:
bonds (distance) C4'-P energy: -9.761
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -11.632
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -15.925
Dist. restrs. and SS energy: 8.677 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -197.575598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.575598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.605657 (E_RNA)
where:
Base-Base interactions energy: -140.577
where: short stacking energy: -53.892
Base-Backbone interact. energy: -0.002
local terms energy: -57.027477
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -10.532
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -4.442
tors. eta vs tors. theta energy: -15.266
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: 208
Temperature: 1.350000
Total energy: -171.621238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.621238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.168709 (E_RNA)
where:
Base-Base interactions energy: -121.845
where: short stacking energy: -54.651
Base-Backbone interact. energy: -0.018
local terms energy: -58.305170
where:
bonds (distance) C4'-P energy: -9.511
bonds (distance) P-C4' energy: -11.664
flat angles C4'-P-C4' energy: -11.403
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -15.767
Dist. restrs. and SS energy: 8.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -229.825000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.825000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.843196 (E_RNA)
where:
Base-Base interactions energy: -166.783
where: short stacking energy: -61.489
Base-Backbone interact. energy: -0.002
local terms energy: -63.058025
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -14.991
flat angles P-C4'-P energy: -4.437
tors. eta vs tors. theta energy: -13.969
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -214.421106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.421106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.743570 (E_RNA)
where:
Base-Base interactions energy: -146.693
where: short stacking energy: -64.967
Base-Backbone interact. energy: -0.001
local terms energy: -68.049978
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: -18.852
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: 1
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -218.407247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.407247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.436202 (E_RNA)
where:
Base-Base interactions energy: -158.696
where: short stacking energy: -67.690
Base-Backbone interact. energy: -0.019
local terms energy: -59.720788
where:
bonds (distance) C4'-P energy: -11.026
bonds (distance) P-C4' energy: -12.484
flat angles C4'-P-C4' energy: -12.313
flat angles P-C4'-P energy: -4.969
tors. eta vs tors. theta energy: -18.929
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -219.594125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.594125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.696133 (E_RNA)
where:
Base-Base interactions energy: -155.370
where: short stacking energy: -64.659
Base-Backbone interact. energy: -0.002
local terms energy: -64.324879
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -13.488
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: 2
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -211.190620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.190620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.220496 (E_RNA)
where:
Base-Base interactions energy: -150.853
where: short stacking energy: -65.224
Base-Backbone interact. energy: -0.130
local terms energy: -60.237307
where:
bonds (distance) C4'-P energy: -9.193
bonds (distance) P-C4' energy: -10.751
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -17.945
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -215.180555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.180555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.221687 (E_RNA)
where:
Base-Base interactions energy: -161.629
where: short stacking energy: -66.251
Base-Backbone interact. energy: -0.331
local terms energy: -53.261471
where:
bonds (distance) C4'-P energy: -10.451
bonds (distance) P-C4' energy: -8.686
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -6.797
tors. eta vs tors. theta energy: -14.484
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: 3
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -201.058555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.058555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.058555 (E_RNA)
where:
Base-Base interactions energy: -150.376
where: short stacking energy: -55.995
Base-Backbone interact. energy: -0.061
local terms energy: -50.621736
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -11.360
flat angles C4'-P-C4' energy: -11.381
flat angles P-C4'-P energy: -4.520
tors. eta vs tors. theta energy: -10.674
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -194.800673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.800673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.852638 (E_RNA)
where:
Base-Base interactions energy: -138.448
where: short stacking energy: -51.628
Base-Backbone interact. energy: -0.015
local terms energy: -56.389624
where:
bonds (distance) C4'-P energy: -10.724
bonds (distance) P-C4' energy: -10.996
flat angles C4'-P-C4' energy: -9.392
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -14.316
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -181.697341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.697341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.760432 (E_RNA)
where:
Base-Base interactions energy: -129.650
where: short stacking energy: -56.822
Base-Backbone interact. energy: -0.876
local terms energy: -60.235092
where:
bonds (distance) C4'-P energy: -10.318
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -13.215
Dist. restrs. and SS energy: 9.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -174.547221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.547221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.695845 (E_RNA)
where:
Base-Base interactions energy: -123.903
where: short stacking energy: -48.207
Base-Backbone interact. energy: -0.695
local terms energy: -58.098569
where:
bonds (distance) C4'-P energy: -7.376
bonds (distance) P-C4' energy: -10.753
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -14.139
Dist. restrs. and SS energy: 8.149 (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: 10
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -243.676663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.676663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.697920 (E_RNA)
where:
Base-Base interactions energy: -175.040
where: short stacking energy: -69.601
Base-Backbone interact. energy: -0.365
local terms energy: -68.292993
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -4.616
tors. eta vs tors. theta energy: -20.070
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -227.918653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.918653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.918653 (E_RNA)
where:
Base-Base interactions energy: -161.186
where: short stacking energy: -66.079
Base-Backbone interact. energy: -0.134
local terms energy: -66.598475
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -12.897
flat angles C4'-P-C4' energy: -16.015
flat angles P-C4'-P energy: -6.307
tors. eta vs tors. theta energy: -17.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -219.091414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.091414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.108347 (E_RNA)
where:
Base-Base interactions energy: -155.900
where: short stacking energy: -62.909
Base-Backbone interact. energy: -0.000
local terms energy: -63.207731
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -9.674
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -12.196
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: 1
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -215.587440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.587440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.789594 (E_RNA)
where:
Base-Base interactions energy: -152.342
where: short stacking energy: -66.894
Base-Backbone interact. energy: -0.001
local terms energy: -63.446581
where:
bonds (distance) C4'-P energy: -12.094
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: -16.721
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: 8
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -209.896741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.896741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.060592 (E_RNA)
where:
Base-Base interactions energy: -153.019
where: short stacking energy: -59.102
Base-Backbone interact. energy: -0.258
local terms energy: -56.783948
where:
bonds (distance) C4'-P energy: -10.289
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -11.713
flat angles P-C4'-P energy: -5.587
tors. eta vs tors. theta energy: -16.772
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -204.117386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.117386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.377473 (E_RNA)
where:
Base-Base interactions energy: -137.584
where: short stacking energy: -53.081
Base-Backbone interact. energy: -0.041
local terms energy: -66.752341
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -15.570
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: 210
Temperature: 1.200000
Total energy: -199.526222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.526222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.676780 (E_RNA)
where:
Base-Base interactions energy: -142.006
where: short stacking energy: -57.235
Base-Backbone interact. energy: -0.010
local terms energy: -57.660986
where:
bonds (distance) C4'-P energy: -9.383
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: -12.589
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: 3
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -207.622620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.622620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.622620 (E_RNA)
where:
Base-Base interactions energy: -150.052
where: short stacking energy: -65.090
Base-Backbone interact. energy: -0.575
local terms energy: -56.994982
where:
bonds (distance) C4'-P energy: -8.846
bonds (distance) P-C4' energy: -12.480
flat angles C4'-P-C4' energy: -9.018
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -18.358
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -184.167139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.167139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.316423 (E_RNA)
where:
Base-Base interactions energy: -127.886
where: short stacking energy: -55.646
Base-Backbone interact. energy: -0.012
local terms energy: -64.418415
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -10.808
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -18.050
Dist. restrs. and SS energy: 8.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -192.362389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.362389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.857524 (E_RNA)
where:
Base-Base interactions energy: -138.714
where: short stacking energy: -60.395
Base-Backbone interact. energy: -0.014
local terms energy: -61.129302
where:
bonds (distance) C4'-P energy: -9.461
bonds (distance) P-C4' energy: -12.156
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: -16.318
Dist. restrs. and SS energy: 7.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -235.539845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.539845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.609313 (E_RNA)
where:
Base-Base interactions energy: -171.999
where: short stacking energy: -72.960
Base-Backbone interact. energy: -0.008
local terms energy: -63.602674
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -5.601
tors. eta vs tors. theta energy: -17.856
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -227.874864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.874864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.967386 (E_RNA)
where:
Base-Base interactions energy: -165.281
where: short stacking energy: -64.527
Base-Backbone interact. energy: -0.002
local terms energy: -62.684579
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -11.478
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -4.807
tors. eta vs tors. theta energy: -19.001
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: 7
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -214.545315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.545315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.593789 (E_RNA)
where:
Base-Base interactions energy: -146.168
where: short stacking energy: -63.303
Base-Backbone interact. energy: -0.008
local terms energy: -68.417471
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -18.355
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -219.727016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.727016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.890751 (E_RNA)
where:
Base-Base interactions energy: -152.544
where: short stacking energy: -67.512
Base-Backbone interact. energy: -0.000
local terms energy: -67.346721
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: -16.333
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -203.824516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.824516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.010050 (E_RNA)
where:
Base-Base interactions energy: -139.777
where: short stacking energy: -54.639
Base-Backbone interact. energy: -0.019
local terms energy: -64.214116
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -17.083
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -205.706153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.706153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.706153 (E_RNA)
where:
Base-Base interactions energy: -146.707
where: short stacking energy: -58.656
Base-Backbone interact. energy: -0.153
local terms energy: -58.846296
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -10.999
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -201.574289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.574289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.597250 (E_RNA)
where:
Base-Base interactions energy: -141.287
where: short stacking energy: -57.210
Base-Backbone interact. energy: -0.203
local terms energy: -60.107465
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -13.093
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -14.603
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: 211
Temperature: 1.250000
Total energy: -185.522394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.522394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.288698 (E_RNA)
where:
Base-Base interactions energy: -128.791
where: short stacking energy: -53.185
Base-Backbone interact. energy: -0.006
local terms energy: -63.491013
where:
bonds (distance) C4'-P energy: -10.948
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -14.293
Dist. restrs. and SS energy: 6.766 (S_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: 211
Temperature: 1.300000
Total energy: -197.456760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.456760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.666335 (E_RNA)
where:
Base-Base interactions energy: -148.848
where: short stacking energy: -56.642
Base-Backbone interact. energy: -0.004
local terms energy: -48.814695
where:
bonds (distance) C4'-P energy: -7.721
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -9.758
flat angles P-C4'-P energy: -3.482
tors. eta vs tors. theta energy: -13.827
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: 4
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -174.020003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.020003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.726915 (E_RNA)
where:
Base-Base interactions energy: -121.727
where: short stacking energy: -52.967
Base-Backbone interact. energy: -0.156
local terms energy: -58.843583
where:
bonds (distance) C4'-P energy: -9.514
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -15.271
Dist. restrs. and SS energy: 6.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -227.073880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.073880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.081206 (E_RNA)
where:
Base-Base interactions energy: -164.605
where: short stacking energy: -66.445
Base-Backbone interact. energy: -0.005
local terms energy: -62.471239
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -12.972
flat angles P-C4'-P energy: -5.030
tors. eta vs tors. theta energy: -17.828
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -229.330591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.330591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.412748 (E_RNA)
where:
Base-Base interactions energy: -165.683
where: short stacking energy: -64.190
Base-Backbone interact. energy: -0.408
local terms energy: -63.321665
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -6.974
tors. eta vs tors. theta energy: -16.072
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -218.860671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.860671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.967631 (E_RNA)
where:
Base-Base interactions energy: -150.724
where: short stacking energy: -63.519
Base-Backbone interact. energy: -0.046
local terms energy: -68.197774
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -14.512
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -17.225
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: 7
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -220.331109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.331109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.361376 (E_RNA)
where:
Base-Base interactions energy: -161.900
where: short stacking energy: -65.050
Base-Backbone interact. energy: -0.004
local terms energy: -58.457983
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -2.848
tors. eta vs tors. theta energy: -16.854
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -210.171988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.171988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.186579 (E_RNA)
where:
Base-Base interactions energy: -148.311
where: short stacking energy: -60.813
Base-Backbone interact. energy: -0.002
local terms energy: -61.873241
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -11.444
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -17.444
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -209.361244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.361244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.472885 (E_RNA)
where:
Base-Base interactions energy: -151.060
where: short stacking energy: -58.872
Base-Backbone interact. energy: -0.055
local terms energy: -58.357684
where:
bonds (distance) C4'-P energy: -10.106
bonds (distance) P-C4' energy: -10.285
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -12.305
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -185.185748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.185748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.196786 (E_RNA)
where:
Base-Base interactions energy: -133.514
where: short stacking energy: -54.747
Base-Backbone interact. energy: 0.722
local terms energy: -60.404609
where:
bonds (distance) C4'-P energy: -8.979
bonds (distance) P-C4' energy: -11.444
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -16.550
Dist. restrs. and SS energy: 8.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -200.937435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.937435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.973624 (E_RNA)
where:
Base-Base interactions energy: -139.959
where: short stacking energy: -48.824
Base-Backbone interact. energy: -0.001
local terms energy: -61.013885
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -11.088
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -14.433
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: 3
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -197.210038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.210038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.278982 (E_RNA)
where:
Base-Base interactions energy: -142.176
where: short stacking energy: -55.572
Base-Backbone interact. energy: 0.557
local terms energy: -55.659856
where:
bonds (distance) C4'-P energy: -7.869
bonds (distance) P-C4' energy: -10.383
flat angles C4'-P-C4' energy: -11.906
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -14.135
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: 4
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -172.001632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.001632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.568305 (E_RNA)
where:
Base-Base interactions energy: -123.283
where: short stacking energy: -55.836
Base-Backbone interact. energy: -0.003
local terms energy: -59.282713
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -8.866
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -16.232
Dist. restrs. and SS energy: 10.567 (S_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: -221.926080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.926080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.061020 (E_RNA)
where:
Base-Base interactions energy: -162.137
where: short stacking energy: -65.270
Base-Backbone interact. energy: -0.578
local terms energy: -59.345292
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -10.336
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -2.901
tors. eta vs tors. theta energy: -18.358
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -224.145299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.145299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.182680 (E_RNA)
where:
Base-Base interactions energy: -163.578
where: short stacking energy: -61.349
Base-Backbone interact. energy: -0.024
local terms energy: -60.580482
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: -15.550
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: 213
Temperature: 1.000000
Total energy: -216.408073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.408073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.609920 (E_RNA)
where:
Base-Base interactions energy: -152.137
where: short stacking energy: -61.254
Base-Backbone interact. energy: -0.088
local terms energy: -64.385380
where:
bonds (distance) C4'-P energy: -8.610
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -17.005
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: 7
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -209.901658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.901658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.940743 (E_RNA)
where:
Base-Base interactions energy: -151.341
where: short stacking energy: -55.708
Base-Backbone interact. energy: -0.007
local terms energy: -58.592859
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -12.240
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -13.553
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: 213
Temperature: 1.100000
Total energy: -218.814093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.814093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.849865 (E_RNA)
where:
Base-Base interactions energy: -157.033
where: short stacking energy: -58.351
Base-Backbone interact. energy: -0.105
local terms energy: -61.712594
where:
bonds (distance) C4'-P energy: -11.447
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: -18.091
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -181.184227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.184227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.948181 (E_RNA)
where:
Base-Base interactions energy: -132.159
where: short stacking energy: -56.497
Base-Backbone interact. energy: -0.056
local terms energy: -57.733112
where:
bonds (distance) C4'-P energy: -6.430
bonds (distance) P-C4' energy: -16.031
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -7.676
tors. eta vs tors. theta energy: -12.721
Dist. restrs. and SS energy: 8.764 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -200.863545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.863545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.877328 (E_RNA)
where:
Base-Base interactions energy: -141.241
where: short stacking energy: -54.645
Base-Backbone interact. energy: -1.049
local terms energy: -58.587741
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -11.101
flat angles C4'-P-C4' energy: -13.734
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -12.579
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -195.521168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.521168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.661520 (E_RNA)
where:
Base-Base interactions energy: -136.747
where: short stacking energy: -57.934
Base-Backbone interact. energy: -0.114
local terms energy: -58.800761
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -9.770
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -15.928
Dist. restrs. and SS energy: 0.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -195.015363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.015363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.064990 (E_RNA)
where:
Base-Base interactions energy: -132.316
where: short stacking energy: -48.642
Base-Backbone interact. energy: -0.376
local terms energy: -62.373060
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -11.393
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -13.884
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -173.105235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.105235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.411833 (E_RNA)
where:
Base-Base interactions energy: -127.538
where: short stacking energy: -54.063
Base-Backbone interact. energy: -0.775
local terms energy: -52.098839
where:
bonds (distance) C4'-P energy: -10.020
bonds (distance) P-C4' energy: -8.696
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -6.463
tors. eta vs tors. theta energy: -14.030
Dist. restrs. and SS energy: 7.307 (S_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: 214
Temperature: 0.900000
Total energy: -216.910138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.910138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.910138 (E_RNA)
where:
Base-Base interactions energy: -148.962
where: short stacking energy: -58.766
Base-Backbone interact. energy: -0.149
local terms energy: -67.799215
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -16.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -222.130125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.130125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.288687 (E_RNA)
where:
Base-Base interactions energy: -161.588
where: short stacking energy: -65.149
Base-Backbone interact. energy: -0.001
local terms energy: -60.699758
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -7.608
tors. eta vs tors. theta energy: -16.707
Dist. restrs. and SS energy: 0.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -222.715135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.715135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.934741 (E_RNA)
where:
Base-Base interactions energy: -158.339
where: short stacking energy: -69.222
Base-Backbone interact. energy: -0.001
local terms energy: -64.594950
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: -15.729
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: 214
Temperature: 1.050000
Total energy: -223.962446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.962446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.962446 (E_RNA)
where:
Base-Base interactions energy: -168.252
where: short stacking energy: -68.546
Base-Backbone interact. energy: -1.144
local terms energy: -54.566846
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -10.235
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -1.609
tors. eta vs tors. theta energy: -17.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -210.938966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.938966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.998947 (E_RNA)
where:
Base-Base interactions energy: -151.997
where: short stacking energy: -56.215
Base-Backbone interact. energy: -0.152
local terms energy: -58.849644
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -12.967
flat angles P-C4'-P energy: -4.467
tors. eta vs tors. theta energy: -15.424
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -195.236149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.236149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.092529 (E_RNA)
where:
Base-Base interactions energy: -141.040
where: short stacking energy: -60.982
Base-Backbone interact. energy: -0.595
local terms energy: -62.456654
where:
bonds (distance) C4'-P energy: -9.573
bonds (distance) P-C4' energy: -11.821
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -7.260
tors. eta vs tors. theta energy: -18.661
Dist. restrs. and SS energy: 8.856 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -203.896444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.896444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.905120 (E_RNA)
where:
Base-Base interactions energy: -154.240
where: short stacking energy: -60.112
Base-Backbone interact. energy: -0.002
local terms energy: -49.663146
where:
bonds (distance) C4'-P energy: -7.566
bonds (distance) P-C4' energy: -10.206
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -10.293
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -206.991283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.991283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.052232 (E_RNA)
where:
Base-Base interactions energy: -154.114
where: short stacking energy: -61.605
Base-Backbone interact. energy: -0.111
local terms energy: -52.828006
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -11.035
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -2.148
tors. eta vs tors. theta energy: -17.431
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: 214
Temperature: 1.300000
Total energy: -173.923348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.923348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.838357 (E_RNA)
where:
Base-Base interactions energy: -121.605
where: short stacking energy: -57.450
Base-Backbone interact. energy: -1.922
local terms energy: -58.311136
where:
bonds (distance) C4'-P energy: -9.776
bonds (distance) P-C4' energy: -10.649
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: -16.014
Dist. restrs. and SS energy: 7.915 (S_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: 214
Temperature: 1.350000
Total energy: -192.375709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.375709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.457319 (E_RNA)
where:
Base-Base interactions energy: -136.853
where: short stacking energy: -59.598
Base-Backbone interact. energy: -0.109
local terms energy: -55.495477
where:
bonds (distance) C4'-P energy: -8.579
bonds (distance) P-C4' energy: -11.418
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -15.317
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: 6
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -223.788422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.788422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.125853 (E_RNA)
where:
Base-Base interactions energy: -163.875
where: short stacking energy: -62.481
Base-Backbone interact. energy: -0.021
local terms energy: -60.229304
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -5.691
tors. eta vs tors. theta energy: -17.532
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: 2, replica: 10
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -214.087194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.087194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.257208 (E_RNA)
where:
Base-Base interactions energy: -157.678
where: short stacking energy: -64.090
Base-Backbone interact. energy: -0.119
local terms energy: -56.460142
where:
bonds (distance) C4'-P energy: -11.377
bonds (distance) P-C4' energy: -10.167
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -12.785
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -214.348236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.348236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.348236 (E_RNA)
where:
Base-Base interactions energy: -145.684
where: short stacking energy: -60.398
Base-Backbone interact. energy: -0.078
local terms energy: -68.586460
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -13.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -228.339644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.339644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.582603 (E_RNA)
where:
Base-Base interactions energy: -165.624
where: short stacking energy: -67.719
Base-Backbone interact. energy: -0.217
local terms energy: -62.742142
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -10.798
flat angles P-C4'-P energy: -6.752
tors. eta vs tors. theta energy: -18.884
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: 5, replica: 8
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -211.867846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.867846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.929375 (E_RNA)
where:
Base-Base interactions energy: -148.647
where: short stacking energy: -56.509
Base-Backbone interact. energy: -0.001
local terms energy: -63.281496
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: -11.569
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -14.543
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -201.355195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.355195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.359908 (E_RNA)
where:
Base-Base interactions energy: -147.987
where: short stacking energy: -53.675
Base-Backbone interact. energy: -0.006
local terms energy: -53.366872
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -1.288
tors. eta vs tors. theta energy: -13.596
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -195.330981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.330981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.280958 (E_RNA)
where:
Base-Base interactions energy: -138.266
where: short stacking energy: -57.007
Base-Backbone interact. energy: -0.692
local terms energy: -64.322777
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -17.127
Dist. restrs. and SS energy: 7.950 (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: 4
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -181.718487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.718487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.736596 (E_RNA)
where:
Base-Base interactions energy: -131.495
where: short stacking energy: -55.650
Base-Backbone interact. energy: -0.036
local terms energy: -59.205496
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -9.386
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -13.225
Dist. restrs. and SS energy: 9.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -191.574224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.574224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.574224 (E_RNA)
where:
Base-Base interactions energy: -136.334
where: short stacking energy: -48.824
Base-Backbone interact. energy: -0.484
local terms energy: -54.756281
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: -9.878
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -194.701177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.701177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.806846 (E_RNA)
where:
Base-Base interactions energy: -136.799
where: short stacking energy: -52.771
Base-Backbone interact. energy: 2.513
local terms energy: -60.520834
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -12.365
flat angles P-C4'-P energy: -6.474
tors. eta vs tors. theta energy: -13.841
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -222.186224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.186224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.201560 (E_RNA)
where:
Base-Base interactions energy: -154.682
where: short stacking energy: -62.800
Base-Backbone interact. energy: -0.037
local terms energy: -67.483036
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -14.573
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -210.859183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.859183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.915396 (E_RNA)
where:
Base-Base interactions energy: -147.102
where: short stacking energy: -62.260
Base-Backbone interact. energy: -0.293
local terms energy: -63.519816
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -11.246
flat angles P-C4'-P energy: -5.718
tors. eta vs tors. theta energy: -18.021
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: 1
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -227.357735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.357735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.463442 (E_RNA)
where:
Base-Base interactions energy: -168.806
where: short stacking energy: -69.086
Base-Backbone interact. energy: -0.477
local terms energy: -58.180741
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -10.942
flat angles P-C4'-P energy: -3.797
tors. eta vs tors. theta energy: -16.590
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: 7
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -204.701395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.701395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.701395 (E_RNA)
where:
Base-Base interactions energy: -141.636
where: short stacking energy: -60.569
Base-Backbone interact. energy: -0.001
local terms energy: -63.064291
where:
bonds (distance) C4'-P energy: -8.133
bonds (distance) P-C4' energy: -11.062
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -18.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -209.362880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.362880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.459891 (E_RNA)
where:
Base-Base interactions energy: -144.057
where: short stacking energy: -57.350
Base-Backbone interact. energy: -0.084
local terms energy: -65.318620
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: -14.399
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: 8
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -206.089271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.089271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.183399 (E_RNA)
where:
Base-Base interactions energy: -143.780
where: short stacking energy: -63.136
Base-Backbone interact. energy: -0.282
local terms energy: -62.121063
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -16.174
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: 5
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -191.190048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.190048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.453057 (E_RNA)
where:
Base-Base interactions energy: -134.613
where: short stacking energy: -56.932
Base-Backbone interact. energy: -0.003
local terms energy: -64.837225
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -12.246
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -15.140
Dist. restrs. and SS energy: 8.263 (S_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: 216
Temperature: 1.250000
Total energy: -181.534425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.534425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.469225 (E_RNA)
where:
Base-Base interactions energy: -129.260
where: short stacking energy: -54.444
Base-Backbone interact. energy: -0.087
local terms energy: -60.122037
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -13.814
Dist. restrs. and SS energy: 7.935 (S_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: 216
Temperature: 1.300000
Total energy: -201.147767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.147767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.395581 (E_RNA)
where:
Base-Base interactions energy: -145.057
where: short stacking energy: -58.559
Base-Backbone interact. energy: -0.000
local terms energy: -56.338760
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -7.725
flat angles C4'-P-C4' energy: -10.532
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -17.953
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: 10, replica: 9
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -196.371694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.371694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.436344 (E_RNA)
where:
Base-Base interactions energy: -138.562
where: short stacking energy: -57.962
Base-Backbone interact. energy: -0.257
local terms energy: -57.617503
where:
bonds (distance) C4'-P energy: -7.600
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -10.148
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -14.350
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: 10
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -221.820063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.820063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.830387 (E_RNA)
where:
Base-Base interactions energy: -151.336
where: short stacking energy: -63.026
Base-Backbone interact. energy: -0.003
local terms energy: -70.491445
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -15.673
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -211.599124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.599124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.672885 (E_RNA)
where:
Base-Base interactions energy: -149.370
where: short stacking energy: -61.287
Base-Backbone interact. energy: -0.037
local terms energy: -62.265399
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -13.470
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -16.224
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: 6
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -210.901217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.901217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.982258 (E_RNA)
where:
Base-Base interactions energy: -148.341
where: short stacking energy: -60.616
Base-Backbone interact. energy: -0.357
local terms energy: -62.284716
where:
bonds (distance) C4'-P energy: -10.479
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -15.656
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: 217
Temperature: 1.050000
Total energy: -208.291729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.291729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.291729 (E_RNA)
where:
Base-Base interactions energy: -151.480
where: short stacking energy: -56.494
Base-Backbone interact. energy: -0.650
local terms energy: -56.161264
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -9.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -220.628961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.628961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.655872 (E_RNA)
where:
Base-Base interactions energy: -164.804
where: short stacking energy: -64.484
Base-Backbone interact. energy: -0.327
local terms energy: -55.524763
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -1.524
tors. eta vs tors. theta energy: -18.672
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -197.535753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.535753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.039225 (E_RNA)
where:
Base-Base interactions energy: -142.844
where: short stacking energy: -58.045
Base-Backbone interact. energy: -0.041
local terms energy: -62.153822
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -16.673
Dist. restrs. and SS energy: 7.503 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -201.499358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.499358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.819117 (E_RNA)
where:
Base-Base interactions energy: -139.238
where: short stacking energy: -57.923
Base-Backbone interact. energy: -0.282
local terms energy: -62.298443
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -8.200
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -18.502
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: 2
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -197.982270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.982270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.049199 (E_RNA)
where:
Base-Base interactions energy: -143.374
where: short stacking energy: -57.332
Base-Backbone interact. energy: -0.252
local terms energy: -54.423021
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -8.319
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -13.630
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -178.335818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.335818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.992141 (E_RNA)
where:
Base-Base interactions energy: -126.999
where: short stacking energy: -56.900
Base-Backbone interact. energy: 1.893
local terms energy: -60.885876
where:
bonds (distance) C4'-P energy: -9.818
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -14.471
Dist. restrs. and SS energy: 7.656 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -189.746578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.746578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.805817 (E_RNA)
where:
Base-Base interactions energy: -143.493
where: short stacking energy: -53.319
Base-Backbone interact. energy: -0.049
local terms energy: -46.264489
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -9.930
flat angles C4'-P-C4' energy: -6.900
flat angles P-C4'-P energy: -3.877
tors. eta vs tors. theta energy: -14.159
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: 218
Temperature: 0.900000
Total energy: -219.823345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.823345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.956188 (E_RNA)
where:
Base-Base interactions energy: -147.365
where: short stacking energy: -61.104
Base-Backbone interact. energy: -0.070
local terms energy: -72.520936
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -13.933
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -19.310
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: 2, replica: 10
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -232.468316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.468316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.626050 (E_RNA)
where:
Base-Base interactions energy: -164.138
where: short stacking energy: -63.377
Base-Backbone interact. energy: -0.253
local terms energy: -68.235466
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -5.525
tors. eta vs tors. theta energy: -16.763
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -216.783205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.783205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.029842 (E_RNA)
where:
Base-Base interactions energy: -155.256
where: short stacking energy: -59.675
Base-Backbone interact. energy: -0.288
local terms energy: -61.485690
where:
bonds (distance) C4'-P energy: -12.898
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -11.174
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: 4, replica: 6
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -210.403315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.403315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.481997 (E_RNA)
where:
Base-Base interactions energy: -142.299
where: short stacking energy: -56.419
Base-Backbone interact. energy: -0.001
local terms energy: -68.181851
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -16.395
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -205.955580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.955580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.080900 (E_RNA)
where:
Base-Base interactions energy: -150.465
where: short stacking energy: -58.988
Base-Backbone interact. energy: -0.059
local terms energy: -55.556667
where:
bonds (distance) C4'-P energy: -6.750
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -11.433
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -15.732
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -174.909017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.909017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.668617 (E_RNA)
where:
Base-Base interactions energy: -117.894
where: short stacking energy: -52.719
Base-Backbone interact. energy: -1.334
local terms energy: -62.441000
where:
bonds (distance) C4'-P energy: -11.137
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -15.923
Dist. restrs. and SS energy: 6.760 (S_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: 218
Temperature: 1.200000
Total energy: -203.258887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.258887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.334380 (E_RNA)
where:
Base-Base interactions energy: -144.708
where: short stacking energy: -55.420
Base-Backbone interact. energy: -0.160
local terms energy: -58.466369
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -11.100
flat angles P-C4'-P energy: -6.709
tors. eta vs tors. theta energy: -13.684
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: 8
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -195.393350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.393350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.393759 (E_RNA)
where:
Base-Base interactions energy: -139.288
where: short stacking energy: -52.968
Base-Backbone interact. energy: -0.077
local terms energy: -56.028187
where:
bonds (distance) C4'-P energy: -13.435
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -10.142
flat angles P-C4'-P energy: -8.598
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: 9, replica: 9
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -192.422065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.422065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.625405 (E_RNA)
where:
Base-Base interactions energy: -131.018
where: short stacking energy: -54.206
Base-Backbone interact. energy: -0.039
local terms energy: -61.568419
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -11.836
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: -14.715
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: 4
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -166.613621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.613621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.784876 (E_RNA)
where:
Base-Base interactions energy: -110.894
where: short stacking energy: -42.988
Base-Backbone interact. energy: -1.143
local terms energy: -59.747287
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -11.738
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -9.810
Dist. restrs. and SS energy: 5.171 (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: 219
Temperature: 0.900000
Total energy: -229.147561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.147561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.147561 (E_RNA)
where:
Base-Base interactions energy: -167.224
where: short stacking energy: -68.648
Base-Backbone interact. energy: -0.008
local terms energy: -61.915409
where:
bonds (distance) C4'-P energy: -7.583
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -4.740
tors. eta vs tors. theta energy: -18.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -236.941961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.941961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.961922 (E_RNA)
where:
Base-Base interactions energy: -173.694
where: short stacking energy: -69.595
Base-Backbone interact. energy: -0.006
local terms energy: -63.262000
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -4.663
tors. eta vs tors. theta energy: -18.650
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: 7
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -226.502764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.502764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.502764 (E_RNA)
where:
Base-Base interactions energy: -172.099
where: short stacking energy: -66.336
Base-Backbone interact. energy: -0.044
local terms energy: -54.359806
where:
bonds (distance) C4'-P energy: -8.865
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -12.271
flat angles P-C4'-P energy: -2.514
tors. eta vs tors. theta energy: -17.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -211.670605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.670605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.718610 (E_RNA)
where:
Base-Base interactions energy: -153.572
where: short stacking energy: -55.929
Base-Backbone interact. energy: -0.116
local terms energy: -58.031026
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -11.637
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -15.033
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -203.342782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.342782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.470490 (E_RNA)
where:
Base-Base interactions energy: -142.533
where: short stacking energy: -60.464
Base-Backbone interact. energy: -0.119
local terms energy: -60.818020
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -7.835
tors. eta vs tors. theta energy: -15.246
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -221.145687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.145687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.177014 (E_RNA)
where:
Base-Base interactions energy: -163.782
where: short stacking energy: -63.439
Base-Backbone interact. energy: -0.002
local terms energy: -57.392817
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -11.102
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -4.728
tors. eta vs tors. theta energy: -17.892
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -187.998949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.998949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.643938 (E_RNA)
where:
Base-Base interactions energy: -135.095
where: short stacking energy: -57.934
Base-Backbone interact. energy: -0.103
local terms energy: -61.445124
where:
bonds (distance) C4'-P energy: -10.407
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -13.284
Dist. restrs. and SS energy: 8.645 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -195.600589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.600589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.697534 (E_RNA)
where:
Base-Base interactions energy: -147.176
where: short stacking energy: -47.676
Base-Backbone interact. energy: -0.002
local terms energy: -48.519806
where:
bonds (distance) C4'-P energy: -7.726
bonds (distance) P-C4' energy: -11.465
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -2.944
tors. eta vs tors. theta energy: -12.671
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: 8
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -201.406306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.406306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.505752 (E_RNA)
where:
Base-Base interactions energy: -138.618
where: short stacking energy: -55.686
Base-Backbone interact. energy: -0.604
local terms energy: -62.284318
where:
bonds (distance) C4'-P energy: -13.358
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -11.881
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -13.872
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -175.373961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.373961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.489676 (E_RNA)
where:
Base-Base interactions energy: -123.804
where: short stacking energy: -46.525
Base-Backbone interact. energy: -0.407
local terms energy: -59.279423
where:
bonds (distance) C4'-P energy: -10.413
bonds (distance) P-C4' energy: -9.556
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -13.647
Dist. restrs. and SS energy: 8.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -237.358514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.358514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.358514 (E_RNA)
where:
Base-Base interactions energy: -171.171
where: short stacking energy: -67.638
Base-Backbone interact. energy: -0.052
local terms energy: -66.135530
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -6.781
tors. eta vs tors. theta energy: -18.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -221.616283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.616283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.635094 (E_RNA)
where:
Base-Base interactions energy: -162.154
where: short stacking energy: -68.766
Base-Backbone interact. energy: -0.002
local terms energy: -59.479033
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -11.769
flat angles P-C4'-P energy: -5.177
tors. eta vs tors. theta energy: -16.182
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: 220
Temperature: 1.000000
Total energy: -218.797494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.797494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.088865 (E_RNA)
where:
Base-Base interactions energy: -158.138
where: short stacking energy: -63.601
Base-Backbone interact. energy: -0.084
local terms energy: -60.866021
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -6.766
tors. eta vs tors. theta energy: -15.466
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: 4, replica: 3
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -210.766876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.766876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.869328 (E_RNA)
where:
Base-Base interactions energy: -143.173
where: short stacking energy: -56.096
Base-Backbone interact. energy: -0.056
local terms energy: -67.640367
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -17.772
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: 2
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -215.654607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.654607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.933070 (E_RNA)
where:
Base-Base interactions energy: -153.206
where: short stacking energy: -60.348
Base-Backbone interact. energy: -0.097
local terms energy: -62.630635
where:
bonds (distance) C4'-P energy: -10.989
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -15.280
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: 6, replica: 6
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -221.561528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.561528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.877962 (E_RNA)
where:
Base-Base interactions energy: -159.962
where: short stacking energy: -62.016
Base-Backbone interact. energy: -0.159
local terms energy: -61.756947
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -3.074
tors. eta vs tors. theta energy: -17.947
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: 7, replica: 9
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -206.664654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.664654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.705289 (E_RNA)
where:
Base-Base interactions energy: -154.705
where: short stacking energy: -58.151
Base-Backbone interact. energy: -0.017
local terms energy: -51.982734
where:
bonds (distance) C4'-P energy: -9.664
bonds (distance) P-C4' energy: -10.426
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -2.724
tors. eta vs tors. theta energy: -16.274
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -188.193859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.193859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.113195 (E_RNA)
where:
Base-Base interactions energy: -132.413
where: short stacking energy: -57.263
Base-Backbone interact. energy: -0.618
local terms energy: -63.082283
where:
bonds (distance) C4'-P energy: -9.817
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -16.496
Dist. restrs. and SS energy: 7.919 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -217.697159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.697159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.715645 (E_RNA)
where:
Base-Base interactions energy: -156.964
where: short stacking energy: -62.087
Base-Backbone interact. energy: -0.000
local terms energy: -60.750883
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -10.806
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -4.126
tors. eta vs tors. theta energy: -19.479
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: 220
Temperature: 1.350000
Total energy: -169.729154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.729154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.093574 (E_RNA)
where:
Base-Base interactions energy: -124.168
where: short stacking energy: -49.627
Base-Backbone interact. energy: -1.261
local terms energy: -52.664530
where:
bonds (distance) C4'-P energy: -9.618
bonds (distance) P-C4' energy: -11.627
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -7.761
tors. eta vs tors. theta energy: -9.627
Dist. restrs. and SS energy: 8.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -233.455296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.455296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.463178 (E_RNA)
where:
Base-Base interactions energy: -175.541
where: short stacking energy: -66.106
Base-Backbone interact. energy: -0.024
local terms energy: -57.898379
where:
bonds (distance) C4'-P energy: -8.036
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -5.176
tors. eta vs tors. theta energy: -15.527
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: 1
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -215.829593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.829593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.829593 (E_RNA)
where:
Base-Base interactions energy: -148.032
where: short stacking energy: -63.389
Base-Backbone interact. energy: 0.296
local terms energy: -68.093805
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -18.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -215.159563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.159563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.188428 (E_RNA)
where:
Base-Base interactions energy: -144.422
where: short stacking energy: -57.613
Base-Backbone interact. energy: -0.003
local terms energy: -70.762790
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -18.687
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -218.409032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.409032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.443686 (E_RNA)
where:
Base-Base interactions energy: -160.873
where: short stacking energy: -61.193
Base-Backbone interact. energy: -0.001
local terms energy: -57.570005
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -3.660
tors. eta vs tors. theta energy: -16.770
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -206.112538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.112538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.196761 (E_RNA)
where:
Base-Base interactions energy: -147.786
where: short stacking energy: -58.446
Base-Backbone interact. energy: 0.389
local terms energy: -58.800295
where:
bonds (distance) C4'-P energy: -9.136
bonds (distance) P-C4' energy: -14.000
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -12.423
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -212.287751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.287751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.299945 (E_RNA)
where:
Base-Base interactions energy: -156.749
where: short stacking energy: -59.867
Base-Backbone interact. energy: -0.785
local terms energy: -54.766008
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -10.468
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -3.201
tors. eta vs tors. theta energy: -15.110
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: 221
Temperature: 1.200000
Total energy: -200.260582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.260582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.284765 (E_RNA)
where:
Base-Base interactions energy: -141.901
where: short stacking energy: -58.456
Base-Backbone interact. energy: -0.420
local terms energy: -57.963118
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -9.489
flat angles C4'-P-C4' energy: -12.723
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: -16.888
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: 8
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -200.103551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.103551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.236126 (E_RNA)
where:
Base-Base interactions energy: -138.216
where: short stacking energy: -56.454
Base-Backbone interact. energy: -0.686
local terms energy: -61.334154
where:
bonds (distance) C4'-P energy: -8.497
bonds (distance) P-C4' energy: -13.125
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -17.401
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: 5
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -168.198669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.198669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.707286 (E_RNA)
where:
Base-Base interactions energy: -117.334
where: short stacking energy: -46.805
Base-Backbone interact. energy: -1.315
local terms energy: -57.058446
where:
bonds (distance) C4'-P energy: -10.787
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -6.147
tors. eta vs tors. theta energy: -11.034
Dist. restrs. and SS energy: 7.509 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -164.708655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.708655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.721546 (E_RNA)
where:
Base-Base interactions energy: -116.716
where: short stacking energy: -40.732
Base-Backbone interact. energy: -0.159
local terms energy: -55.845825
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -8.791
flat angles C4'-P-C4' energy: -11.176
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -13.300
Dist. restrs. and SS energy: 8.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -233.256994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.256994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.261364 (E_RNA)
where:
Base-Base interactions energy: -167.434
where: short stacking energy: -63.521
Base-Backbone interact. energy: -0.073
local terms energy: -65.754053
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -5.517
tors. eta vs tors. theta energy: -16.772
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -217.039949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.039949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.175582 (E_RNA)
where:
Base-Base interactions energy: -150.237
where: short stacking energy: -57.401
Base-Backbone interact. energy: 0.091
local terms energy: -67.030085
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -14.977
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -216.556402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.556402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.568478 (E_RNA)
where:
Base-Base interactions energy: -152.918
where: short stacking energy: -66.935
Base-Backbone interact. energy: -0.197
local terms energy: -63.453527
where:
bonds (distance) C4'-P energy: -6.819
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -16.309
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: 222
Temperature: 1.050000
Total energy: -209.878979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.878979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.936508 (E_RNA)
where:
Base-Base interactions energy: -151.047
where: short stacking energy: -66.543
Base-Backbone interact. energy: -0.014
local terms energy: -58.875378
where:
bonds (distance) C4'-P energy: -6.195
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -15.432
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -211.023275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.023275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.061038 (E_RNA)
where:
Base-Base interactions energy: -147.073
where: short stacking energy: -63.323
Base-Backbone interact. energy: -0.024
local terms energy: -63.963822
where:
bonds (distance) C4'-P energy: -10.226
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -18.048
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -203.089161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.089161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.212089 (E_RNA)
where:
Base-Base interactions energy: -143.689
where: short stacking energy: -54.743
Base-Backbone interact. energy: -0.002
local terms energy: -59.521991
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -5.350
tors. eta vs tors. theta energy: -12.071
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: 8
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -203.382585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.382585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.455320 (E_RNA)
where:
Base-Base interactions energy: -146.356
where: short stacking energy: -52.176
Base-Backbone interact. energy: -0.067
local terms energy: -57.032497
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -12.252
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -4.271
tors. eta vs tors. theta energy: -13.451
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: 9
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -191.418727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.418727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.730833 (E_RNA)
where:
Base-Base interactions energy: -138.113
where: short stacking energy: -52.867
Base-Backbone interact. energy: -0.093
local terms energy: -53.524368
where:
bonds (distance) C4'-P energy: -8.030
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -13.468
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -11.137
Dist. restrs. and SS energy: 0.312 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -178.430015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.430015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.246129 (E_RNA)
where:
Base-Base interactions energy: -128.277
where: short stacking energy: -53.729
Base-Backbone interact. energy: 0.340
local terms energy: -58.308961
where:
bonds (distance) C4'-P energy: -11.602
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -7.271
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: -12.347
Dist. restrs. and SS energy: 7.816 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -177.367147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.367147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.793792 (E_RNA)
where:
Base-Base interactions energy: -127.757
where: short stacking energy: -51.848
Base-Backbone interact. energy: -0.112
local terms energy: -56.924239
where:
bonds (distance) C4'-P energy: -10.483
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -11.141
flat angles P-C4'-P energy: -5.281
tors. eta vs tors. theta energy: -15.891
Dist. restrs. and SS energy: 7.427 (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: 10
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -240.789470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.789470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.877102 (E_RNA)
where:
Base-Base interactions energy: -179.220
where: short stacking energy: -72.230
Base-Backbone interact. energy: -0.002
local terms energy: -61.655043
where:
bonds (distance) C4'-P energy: -8.745
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -5.728
tors. eta vs tors. theta energy: -16.437
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -216.354841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.354841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.398595 (E_RNA)
where:
Base-Base interactions energy: -153.552
where: short stacking energy: -56.311
Base-Backbone interact. energy: -1.016
local terms energy: -61.830976
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -13.298
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -13.016
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: 223
Temperature: 1.000000
Total energy: -211.046189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.046189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.121098 (E_RNA)
where:
Base-Base interactions energy: -144.709
where: short stacking energy: -53.962
Base-Backbone interact. energy: -0.038
local terms energy: -66.373668
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -15.614
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -223.050317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.050317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.065552 (E_RNA)
where:
Base-Base interactions energy: -164.965
where: short stacking energy: -60.671
Base-Backbone interact. energy: -0.046
local terms energy: -58.054748
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -4.905
tors. eta vs tors. theta energy: -15.026
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -210.064264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.064264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.076785 (E_RNA)
where:
Base-Base interactions energy: -149.741
where: short stacking energy: -62.340
Base-Backbone interact. energy: -0.467
local terms energy: -59.868312
where:
bonds (distance) C4'-P energy: -9.304
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -14.212
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: 8
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -201.325036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.325036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.403445 (E_RNA)
where:
Base-Base interactions energy: -143.671
where: short stacking energy: -59.234
Base-Backbone interact. energy: -0.041
local terms energy: -57.691402
where:
bonds (distance) C4'-P energy: -9.850
bonds (distance) P-C4' energy: -9.484
flat angles C4'-P-C4' energy: -11.625
flat angles P-C4'-P energy: -7.263
tors. eta vs tors. theta energy: -19.469
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -207.569751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.569751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.768041 (E_RNA)
where:
Base-Base interactions energy: -140.239
where: short stacking energy: -51.933
Base-Backbone interact. energy: -0.046
local terms energy: -67.483946
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -14.275
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: 4
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -181.160513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.160513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.944148 (E_RNA)
where:
Base-Base interactions energy: -129.548
where: short stacking energy: -55.065
Base-Backbone interact. energy: -0.038
local terms energy: -58.358298
where:
bonds (distance) C4'-P energy: -11.251
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -11.168
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -13.770
Dist. restrs. and SS energy: 6.784 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -192.492089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.492089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.188148 (E_RNA)
where:
Base-Base interactions energy: -127.971
where: short stacking energy: -52.914
Base-Backbone interact. energy: -0.009
local terms energy: -65.208307
where:
bonds (distance) C4'-P energy: -9.692
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -17.440
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: 10, replica: 5
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -174.976456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.976456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.362923 (E_RNA)
where:
Base-Base interactions energy: -124.378
where: short stacking energy: -52.746
Base-Backbone interact. energy: -0.646
local terms energy: -56.338725
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -6.798
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -14.915
Dist. restrs. and SS energy: 6.386 (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: 2
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -214.017423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.017423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.176142 (E_RNA)
where:
Base-Base interactions energy: -145.390
where: short stacking energy: -60.457
Base-Backbone interact. energy: -0.017
local terms energy: -68.769895
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -14.267
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -15.322
Dist. restrs. and SS energy: 0.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -235.378038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.378038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.409968 (E_RNA)
where:
Base-Base interactions energy: -172.071
where: short stacking energy: -67.012
Base-Backbone interact. energy: -0.016
local terms energy: -63.323327
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -10.849
flat angles P-C4'-P energy: -4.403
tors. eta vs tors. theta energy: -18.153
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: 224
Temperature: 1.000000
Total energy: -225.536125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.536125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.785931 (E_RNA)
where:
Base-Base interactions energy: -169.874
where: short stacking energy: -75.249
Base-Backbone interact. energy: -0.045
local terms energy: -55.866094
where:
bonds (distance) C4'-P energy: -10.976
bonds (distance) P-C4' energy: -8.280
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -3.023
tors. eta vs tors. theta energy: -18.906
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: 4, replica: 1
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -214.516873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.516873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.721655 (E_RNA)
where:
Base-Base interactions energy: -159.817
where: short stacking energy: -62.050
Base-Backbone interact. energy: -0.000
local terms energy: -54.903911
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -12.244
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -2.765
tors. eta vs tors. theta energy: -13.700
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: 7
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -218.424036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.424036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.424036 (E_RNA)
where:
Base-Base interactions energy: -154.117
where: short stacking energy: -63.842
Base-Backbone interact. energy: -0.003
local terms energy: -64.303441
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -10.784
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -18.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -222.818786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.818786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.023269 (E_RNA)
where:
Base-Base interactions energy: -164.279
where: short stacking energy: -62.521
Base-Backbone interact. energy: -0.371
local terms energy: -58.372999
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -11.000
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -3.797
tors. eta vs tors. theta energy: -16.893
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: 4
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -198.672419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.672419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.472311 (E_RNA)
where:
Base-Base interactions energy: -141.397
where: short stacking energy: -62.145
Base-Backbone interact. energy: -0.000
local terms energy: -65.074847
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -12.984
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -16.314
Dist. restrs. and SS energy: 7.800 (S_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: 224
Temperature: 1.250000
Total energy: -200.523978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.523978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.657191 (E_RNA)
where:
Base-Base interactions energy: -137.616
where: short stacking energy: -58.564
Base-Backbone interact. energy: -0.000
local terms energy: -63.040771
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -18.210
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: 5
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -177.038329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.038329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.860012 (E_RNA)
where:
Base-Base interactions energy: -129.170
where: short stacking energy: -55.356
Base-Backbone interact. energy: -0.023
local terms energy: -55.666186
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -6.616
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -14.835
Dist. restrs. and SS energy: 7.822 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -187.226820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.226820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.570051 (E_RNA)
where:
Base-Base interactions energy: -131.860
where: short stacking energy: -52.287
Base-Backbone interact. energy: -0.101
local terms energy: -55.609005
where:
bonds (distance) C4'-P energy: -7.371
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -11.365
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: 1, replica: 2
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -227.744821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.744821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.865239 (E_RNA)
where:
Base-Base interactions energy: -155.463
where: short stacking energy: -69.353
Base-Backbone interact. energy: -0.165
local terms energy: -72.237203
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -18.425
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: 2, replica: 10
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -235.440549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.440549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.440549 (E_RNA)
where:
Base-Base interactions energy: -170.456
where: short stacking energy: -70.499
Base-Backbone interact. energy: -0.123
local terms energy: -64.861645
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: -18.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -214.611105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.611105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.801727 (E_RNA)
where:
Base-Base interactions energy: -152.307
where: short stacking energy: -60.110
Base-Backbone interact. energy: -0.280
local terms energy: -62.214775
where:
bonds (distance) C4'-P energy: -8.509
bonds (distance) P-C4' energy: -13.398
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -16.053
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: 225
Temperature: 1.050000
Total energy: -220.226469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.226469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.321792 (E_RNA)
where:
Base-Base interactions energy: -164.596
where: short stacking energy: -65.518
Base-Backbone interact. energy: -0.038
local terms energy: -55.687278
where:
bonds (distance) C4'-P energy: -10.587
bonds (distance) P-C4' energy: -11.524
flat angles C4'-P-C4' energy: -11.381
flat angles P-C4'-P energy: -6.126
tors. eta vs tors. theta energy: -16.069
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: 1
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -204.647463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.647463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.674982 (E_RNA)
where:
Base-Base interactions energy: -149.201
where: short stacking energy: -58.388
Base-Backbone interact. energy: -0.061
local terms energy: -55.412639
where:
bonds (distance) C4'-P energy: -12.501
bonds (distance) P-C4' energy: -5.352
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -16.604
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -220.288023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.288023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.388842 (E_RNA)
where:
Base-Base interactions energy: -158.898
where: short stacking energy: -58.940
Base-Backbone interact. energy: -0.141
local terms energy: -61.349627
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: -13.263
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: 225
Temperature: 1.200000
Total energy: -179.014015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.014015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.803995 (E_RNA)
where:
Base-Base interactions energy: -126.854
where: short stacking energy: -55.364
Base-Backbone interact. energy: -0.022
local terms energy: -58.928477
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -9.181
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -8.842
tors. eta vs tors. theta energy: -15.576
Dist. restrs. and SS energy: 6.790 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -179.375877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.375877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.774775 (E_RNA)
where:
Base-Base interactions energy: -129.941
where: short stacking energy: -54.730
Base-Backbone interact. energy: -0.189
local terms energy: -56.644641
where:
bonds (distance) C4'-P energy: -9.835
bonds (distance) P-C4' energy: -10.683
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -15.112
Dist. restrs. and SS energy: 7.399 (S_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: 225
Temperature: 1.300000
Total energy: -198.058089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.058089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.253866 (E_RNA)
where:
Base-Base interactions energy: -137.512
where: short stacking energy: -57.653
Base-Backbone interact. energy: -0.298
local terms energy: -60.444078
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -13.031
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -4.239
tors. eta vs tors. theta energy: -15.655
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -192.468538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.468538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.495858 (E_RNA)
where:
Base-Base interactions energy: -132.489
where: short stacking energy: -53.793
Base-Backbone interact. energy: -0.012
local terms energy: -59.995121
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -12.751
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: 226
Temperature: 0.900000
Total energy: -237.460780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.460780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.500057 (E_RNA)
where:
Base-Base interactions energy: -172.401
where: short stacking energy: -69.563
Base-Backbone interact. energy: -0.028
local terms energy: -65.071688
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -6.115
tors. eta vs tors. theta energy: -17.571
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -221.657518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.657518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.680743 (E_RNA)
where:
Base-Base interactions energy: -150.538
where: short stacking energy: -62.255
Base-Backbone interact. energy: -0.035
local terms energy: -71.108159
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -13.553
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -18.053
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: 226
Temperature: 1.000000
Total energy: -217.562047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.562047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.562047 (E_RNA)
where:
Base-Base interactions energy: -152.115
where: short stacking energy: -63.723
Base-Backbone interact. energy: -0.214
local terms energy: -65.232867
where:
bonds (distance) C4'-P energy: -6.721
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -18.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -211.084224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.084224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.170962 (E_RNA)
where:
Base-Base interactions energy: -148.195
where: short stacking energy: -61.674
Base-Backbone interact. energy: -0.005
local terms energy: -62.971652
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -12.305
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -18.097
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -209.871293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.871293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.871293 (E_RNA)
where:
Base-Base interactions energy: -150.606
where: short stacking energy: -64.639
Base-Backbone interact. energy: -0.002
local terms energy: -59.263897
where:
bonds (distance) C4'-P energy: -7.053
bonds (distance) P-C4' energy: -12.848
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -7.524
tors. eta vs tors. theta energy: -17.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -204.786081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.786081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.817920 (E_RNA)
where:
Base-Base interactions energy: -143.212
where: short stacking energy: -60.936
Base-Backbone interact. energy: -0.167
local terms energy: -61.438999
where:
bonds (distance) C4'-P energy: -8.153
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -11.470
tors. eta vs tors. theta energy: -14.879
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -184.267590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.267590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.772466 (E_RNA)
where:
Base-Base interactions energy: -136.195
where: short stacking energy: -57.842
Base-Backbone interact. energy: -0.211
local terms energy: -55.366627
where:
bonds (distance) C4'-P energy: -8.215
bonds (distance) P-C4' energy: -12.238
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -13.850
Dist. restrs. and SS energy: 7.505 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -178.311274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.311274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.778498 (E_RNA)
where:
Base-Base interactions energy: -127.866
where: short stacking energy: -46.001
Base-Backbone interact. energy: -0.013
local terms energy: -56.898588
where:
bonds (distance) C4'-P energy: -10.798
bonds (distance) P-C4' energy: -12.517
flat angles C4'-P-C4' energy: -12.713
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -12.723
Dist. restrs. and SS energy: 6.467 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -190.925617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.925617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.042726 (E_RNA)
where:
Base-Base interactions energy: -137.043
where: short stacking energy: -52.423
Base-Backbone interact. energy: -0.107
local terms energy: -53.892149
where:
bonds (distance) C4'-P energy: -9.843
bonds (distance) P-C4' energy: -9.798
flat angles C4'-P-C4' energy: -12.925
flat angles P-C4'-P energy: -6.842
tors. eta vs tors. theta energy: -14.483
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -188.880862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.880862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.033812 (E_RNA)
where:
Base-Base interactions energy: -131.724
where: short stacking energy: -48.739
Base-Backbone interact. energy: -0.756
local terms energy: -56.554467
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -11.043
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -10.044
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: 10
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -236.236465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.236465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.246731 (E_RNA)
where:
Base-Base interactions energy: -169.280
where: short stacking energy: -63.307
Base-Backbone interact. energy: -0.005
local terms energy: -66.961590
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -7.791
tors. eta vs tors. theta energy: -16.924
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -222.059399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.059399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.157734 (E_RNA)
where:
Base-Base interactions energy: -161.281
where: short stacking energy: -68.015
Base-Backbone interact. energy: -0.050
local terms energy: -60.826051
where:
bonds (distance) C4'-P energy: -10.228
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -6.368
tors. eta vs tors. theta energy: -18.667
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: 227
Temperature: 1.000000
Total energy: -220.069853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.069853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.069853 (E_RNA)
where:
Base-Base interactions energy: -163.074
where: short stacking energy: -62.714
Base-Backbone interact. energy: -0.266
local terms energy: -56.729616
where:
bonds (distance) C4'-P energy: -7.727
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -9.710
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -19.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -225.477555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.477555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.495007 (E_RNA)
where:
Base-Base interactions energy: -167.275
where: short stacking energy: -67.292
Base-Backbone interact. energy: -0.006
local terms energy: -58.214327
where:
bonds (distance) C4'-P energy: -10.068
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -2.648
tors. eta vs tors. theta energy: -18.614
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -204.450510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.450510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.665839 (E_RNA)
where:
Base-Base interactions energy: -138.612
where: short stacking energy: -61.619
Base-Backbone interact. energy: -0.041
local terms energy: -66.013253
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -9.810
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -16.836
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: 6, replica: 5
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -204.358410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.358410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.215801 (E_RNA)
where:
Base-Base interactions energy: -147.466
where: short stacking energy: -64.081
Base-Backbone interact. energy: -0.683
local terms energy: -63.067665
where:
bonds (distance) C4'-P energy: -9.871
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -17.443
Dist. restrs. and SS energy: 6.857 (S_DIST_RNA)
chem. 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: -194.855734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.855734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.933136 (E_RNA)
where:
Base-Base interactions energy: -141.918
where: short stacking energy: -59.009
Base-Backbone interact. energy: -0.006
local terms energy: -53.009532
where:
bonds (distance) C4'-P energy: -13.000
bonds (distance) P-C4' energy: -8.347
flat angles C4'-P-C4' energy: -10.492
flat angles P-C4'-P energy: -6.485
tors. eta vs tors. theta energy: -14.686
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: 9
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -207.613494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.613494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.697104 (E_RNA)
where:
Base-Base interactions energy: -146.226
where: short stacking energy: -58.386
Base-Backbone interact. energy: -0.038
local terms energy: -61.433666
where:
bonds (distance) C4'-P energy: -9.700
bonds (distance) P-C4' energy: -12.776
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -15.658
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -179.361410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.361410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.387041 (E_RNA)
where:
Base-Base interactions energy: -128.797
where: short stacking energy: -57.195
Base-Backbone interact. energy: -0.304
local terms energy: -58.285485
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -11.746
flat angles P-C4'-P energy: -3.812
tors. eta vs tors. theta energy: -18.502
Dist. restrs. and SS energy: 8.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -189.629466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.629466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.672952 (E_RNA)
where:
Base-Base interactions energy: -138.694
where: short stacking energy: -50.871
Base-Backbone interact. energy: -0.048
local terms energy: -50.931517
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -11.765
flat angles C4'-P-C4' energy: -7.482
flat angles P-C4'-P energy: -5.779
tors. eta vs tors. theta energy: -10.603
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: 10
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -229.839259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.839259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.981297 (E_RNA)
where:
Base-Base interactions energy: -169.135
where: short stacking energy: -66.568
Base-Backbone interact. energy: -0.514
local terms energy: -60.332999
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: -13.686
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: 2, replica: 2
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -218.458693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.458693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.663917 (E_RNA)
where:
Base-Base interactions energy: -150.977
where: short stacking energy: -67.431
Base-Backbone interact. energy: -0.623
local terms energy: -67.063533
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -16.492
flat angles C4'-P-C4' energy: -11.135
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -15.489
Dist. restrs. and SS energy: 0.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -218.113822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.113822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.157059 (E_RNA)
where:
Base-Base interactions energy: -157.803
where: short stacking energy: -58.939
Base-Backbone interact. energy: -0.050
local terms energy: -60.303858
where:
bonds (distance) C4'-P energy: -12.926
bonds (distance) P-C4' energy: -10.928
flat angles C4'-P-C4' energy: -11.654
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -16.517
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -222.610281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.610281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.710879 (E_RNA)
where:
Base-Base interactions energy: -159.402
where: short stacking energy: -62.434
Base-Backbone interact. energy: -0.043
local terms energy: -63.266249
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -15.473
flat angles P-C4'-P energy: -4.549
tors. eta vs tors. theta energy: -17.449
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -208.543940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.543940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.556037 (E_RNA)
where:
Base-Base interactions energy: -145.896
where: short stacking energy: -54.848
Base-Backbone interact. energy: -0.103
local terms energy: -62.557062
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -11.526
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: 228
Temperature: 1.150000
Total energy: -193.935567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.935567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.919235 (E_RNA)
where:
Base-Base interactions energy: -131.808
where: short stacking energy: -51.017
Base-Backbone interact. energy: -1.012
local terms energy: -68.099829
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -15.889
Dist. restrs. and SS energy: 6.984 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -207.318983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.318983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.352441 (E_RNA)
where:
Base-Base interactions energy: -155.784
where: short stacking energy: -57.499
Base-Backbone interact. energy: -0.014
local terms energy: -51.554179
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -9.991
flat angles C4'-P-C4' energy: -11.550
flat angles P-C4'-P energy: -1.213
tors. eta vs tors. theta energy: -16.437
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: 228
Temperature: 1.250000
Total energy: -198.803533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.803533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.890075 (E_RNA)
where:
Base-Base interactions energy: -135.177
where: short stacking energy: -51.202
Base-Backbone interact. energy: -0.069
local terms energy: -63.643977
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -7.785
tors. eta vs tors. theta energy: -14.874
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: 3
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -194.355823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.355823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.473816 (E_RNA)
where:
Base-Base interactions energy: -139.622
where: short stacking energy: -48.700
Base-Backbone interact. energy: -0.668
local terms energy: -54.183331
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -11.049
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -7.222
tors. eta vs tors. theta energy: -13.392
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: 228
Temperature: 1.350000
Total energy: -169.793005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.793005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.397920 (E_RNA)
where:
Base-Base interactions energy: -120.997
where: short stacking energy: -46.426
Base-Backbone interact. energy: 4.132
local terms energy: -61.532995
where:
bonds (distance) C4'-P energy: -11.599
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -11.428
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -12.845
Dist. restrs. and SS energy: 8.605 (S_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: 229
Temperature: 0.900000
Total energy: -236.918446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.918446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.054023 (E_RNA)
where:
Base-Base interactions energy: -169.113
where: short stacking energy: -67.663
Base-Backbone interact. energy: -0.100
local terms energy: -67.840570
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -5.925
tors. eta vs tors. theta energy: -17.458
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -218.009408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.009408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.025759 (E_RNA)
where:
Base-Base interactions energy: -150.088
where: short stacking energy: -59.956
Base-Backbone interact. energy: -0.179
local terms energy: -67.758128
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -17.343
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -224.375961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.375961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.463794 (E_RNA)
where:
Base-Base interactions energy: -166.919
where: short stacking energy: -64.069
Base-Backbone interact. energy: -0.644
local terms energy: -56.901056
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -10.078
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -2.720
tors. eta vs tors. theta energy: -15.813
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: 7
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -222.312325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.312325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.344200 (E_RNA)
where:
Base-Base interactions energy: -161.605
where: short stacking energy: -63.418
Base-Backbone interact. energy: -0.006
local terms energy: -60.733667
where:
bonds (distance) C4'-P energy: -8.621
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -4.868
tors. eta vs tors. theta energy: -18.063
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: 6
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -209.067177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.067177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.083789 (E_RNA)
where:
Base-Base interactions energy: -142.709
where: short stacking energy: -60.990
Base-Backbone interact. energy: 0.293
local terms energy: -66.667687
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -17.783
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -215.370228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.370228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.377150 (E_RNA)
where:
Base-Base interactions energy: -157.157
where: short stacking energy: -59.704
Base-Backbone interact. energy: -0.010
local terms energy: -58.210226
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -4.034
tors. eta vs tors. theta energy: -16.848
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: 229
Temperature: 1.200000
Total energy: -181.689461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.689461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.364298 (E_RNA)
where:
Base-Base interactions energy: -128.883
where: short stacking energy: -48.619
Base-Backbone interact. energy: -0.053
local terms energy: -59.427955
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -4.399
tors. eta vs tors. theta energy: -10.998
Dist. restrs. and SS energy: 6.675 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -195.237955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.237955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.240275 (E_RNA)
where:
Base-Base interactions energy: -140.365
where: short stacking energy: -52.140
Base-Backbone interact. energy: -0.038
local terms energy: -54.837297
where:
bonds (distance) C4'-P energy: -10.991
bonds (distance) P-C4' energy: -7.605
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -13.296
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: 3
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -205.397096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.397096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.460152 (E_RNA)
where:
Base-Base interactions energy: -142.790
where: short stacking energy: -57.579
Base-Backbone interact. energy: -0.349
local terms energy: -62.320326
where:
bonds (distance) C4'-P energy: -11.935
bonds (distance) P-C4' energy: -11.162
flat angles C4'-P-C4' energy: -10.683
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -18.246
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -176.573602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.573602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.486378 (E_RNA)
where:
Base-Base interactions energy: -127.178
where: short stacking energy: -57.182
Base-Backbone interact. energy: -0.005
local terms energy: -56.302946
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -12.439
Dist. restrs. and SS energy: 6.913 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -219.214290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.214290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.256908 (E_RNA)
where:
Base-Base interactions energy: -154.461
where: short stacking energy: -65.604
Base-Backbone interact. energy: -1.168
local terms energy: -63.627142
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -8.811
tors. eta vs tors. theta energy: -16.931
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: 10
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -238.826355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.826355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.836213 (E_RNA)
where:
Base-Base interactions energy: -169.609
where: short stacking energy: -70.439
Base-Backbone interact. energy: -0.035
local terms energy: -69.192693
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -15.948
flat angles P-C4'-P energy: -7.842
tors. eta vs tors. theta energy: -17.423
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: 3, replica: 7
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -216.359240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.359240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.428306 (E_RNA)
where:
Base-Base interactions energy: -152.206
where: short stacking energy: -58.577
Base-Backbone interact. energy: -0.002
local terms energy: -64.220426
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -13.414
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: 1
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -208.035926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.035926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.122443 (E_RNA)
where:
Base-Base interactions energy: -150.293
where: short stacking energy: -60.568
Base-Backbone interact. energy: -0.095
local terms energy: -57.734054
where:
bonds (distance) C4'-P energy: -9.806
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -6.403
tors. eta vs tors. theta energy: -16.001
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -210.228339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.228339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.429037 (E_RNA)
where:
Base-Base interactions energy: -148.547
where: short stacking energy: -55.275
Base-Backbone interact. energy: -0.280
local terms energy: -61.602663
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -11.209
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -14.403
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: 6, replica: 9
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -216.559868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.559868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.126806 (E_RNA)
where:
Base-Base interactions energy: -156.363
where: short stacking energy: -64.866
Base-Backbone interact. energy: -0.010
local terms energy: -60.754388
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -14.072
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -3.512
tors. eta vs tors. theta energy: -18.536
Dist. restrs. and SS energy: 0.567 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -205.190918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.190918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.271352 (E_RNA)
where:
Base-Base interactions energy: -142.500
where: short stacking energy: -60.687
Base-Backbone interact. energy: -0.001
local terms energy: -62.770880
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -11.644
flat angles C4'-P-C4' energy: -13.139
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -16.676
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -179.211256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.211256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.584098 (E_RNA)
where:
Base-Base interactions energy: -132.374
where: short stacking energy: -59.566
Base-Backbone interact. energy: -0.537
local terms energy: -54.673500
where:
bonds (distance) C4'-P energy: -7.802
bonds (distance) P-C4' energy: -10.501
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -14.389
Dist. restrs. and SS energy: 8.373 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -200.288653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.288653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.442790 (E_RNA)
where:
Base-Base interactions energy: -141.999
where: short stacking energy: -60.224
Base-Backbone interact. energy: -0.003
local terms energy: -58.441464
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -8.882
flat angles C4'-P-C4' energy: -10.525
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -18.976
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: 4
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -175.071134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.071134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.167789 (E_RNA)
where:
Base-Base interactions energy: -121.602
where: short stacking energy: -45.475
Base-Backbone interact. energy: -0.398
local terms energy: -61.167102
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -12.130
flat angles C4'-P-C4' energy: -12.603
flat angles P-C4'-P energy: -9.148
tors. eta vs tors. theta energy: -14.997
Dist. restrs. and SS energy: 8.097 (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: 2
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -219.561941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.561941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.561941 (E_RNA)
where:
Base-Base interactions energy: -153.452
where: short stacking energy: -65.735
Base-Backbone interact. energy: -0.761
local terms energy: -65.349304
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -6.575
tors. eta vs tors. theta energy: -17.343
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: 10
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -231.427089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.427089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.484123 (E_RNA)
where:
Base-Base interactions energy: -166.743
where: short stacking energy: -65.632
Base-Backbone interact. energy: -0.016
local terms energy: -64.725154
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -16.223
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -222.647582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.647582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.735123 (E_RNA)
where:
Base-Base interactions energy: -160.970
where: short stacking energy: -66.887
Base-Backbone interact. energy: -0.001
local terms energy: -61.764470
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -4.216
tors. eta vs tors. theta energy: -16.033
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: 231
Temperature: 1.050000
Total energy: -219.504858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.504858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.523979 (E_RNA)
where:
Base-Base interactions energy: -152.268
where: short stacking energy: -58.677
Base-Backbone interact. energy: -2.221
local terms energy: -65.034515
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -4.315
tors. eta vs tors. theta energy: -16.800
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -210.484553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.484553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.484553 (E_RNA)
where:
Base-Base interactions energy: -144.705
where: short stacking energy: -58.030
Base-Backbone interact. energy: -0.007
local terms energy: -65.772202
where:
bonds (distance) C4'-P energy: -10.106
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -15.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -206.809529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.809529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.872230 (E_RNA)
where:
Base-Base interactions energy: -145.298
where: short stacking energy: -58.027
Base-Backbone interact. energy: -0.000
local terms energy: -61.573755
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -10.477
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -14.616
Dist. restrs. and SS energy: 0.063 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -201.588068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.588068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.620013 (E_RNA)
where:
Base-Base interactions energy: -141.159
where: short stacking energy: -54.438
Base-Backbone interact. energy: -0.000
local terms energy: -60.460917
where:
bonds (distance) C4'-P energy: -9.784
bonds (distance) P-C4' energy: -11.092
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -15.997
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -206.572408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.572408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.734226 (E_RNA)
where:
Base-Base interactions energy: -141.546
where: short stacking energy: -59.330
Base-Backbone interact. energy: 0.116
local terms energy: -65.305010
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -14.265
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: 5
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -180.607460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.607460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.595591 (E_RNA)
where:
Base-Base interactions energy: -137.774
where: short stacking energy: -59.392
Base-Backbone interact. energy: -0.705
local terms energy: -51.116823
where:
bonds (distance) C4'-P energy: -9.184
bonds (distance) P-C4' energy: -9.461
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -6.386
tors. eta vs tors. theta energy: -13.786
Dist. restrs. and SS energy: 8.988 (S_DIST_RNA)
chem. 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: -175.809009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.809009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.119132 (E_RNA)
where:
Base-Base interactions energy: -128.682
where: short stacking energy: -51.809
Base-Backbone interact. energy: -0.745
local terms energy: -54.692302
where:
bonds (distance) C4'-P energy: -7.308
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -12.633
Dist. restrs. and SS energy: 8.310 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -238.404337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.404337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.410054 (E_RNA)
where:
Base-Base interactions energy: -169.706
where: short stacking energy: -68.528
Base-Backbone interact. energy: -0.573
local terms energy: -68.131273
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -5.302
tors. eta vs tors. theta energy: -17.170
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: 232
Temperature: 0.950000
Total energy: -218.943273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.943273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.032455 (E_RNA)
where:
Base-Base interactions energy: -153.199
where: short stacking energy: -64.457
Base-Backbone interact. energy: -0.468
local terms energy: -65.365005
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -6.244
tors. eta vs tors. theta energy: -16.655
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -208.437669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.437669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.441697 (E_RNA)
where:
Base-Base interactions energy: -148.952
where: short stacking energy: -56.843
Base-Backbone interact. energy: -0.021
local terms energy: -59.469074
where:
bonds (distance) C4'-P energy: -9.242
bonds (distance) P-C4' energy: -9.849
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -15.859
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -205.220180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.220180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.277555 (E_RNA)
where:
Base-Base interactions energy: -145.933
where: short stacking energy: -61.442
Base-Backbone interact. energy: -0.003
local terms energy: -59.341899
where:
bonds (distance) C4'-P energy: -9.342
bonds (distance) P-C4' energy: -13.624
flat angles C4'-P-C4' energy: -10.000
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -16.597
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: 232
Temperature: 1.100000
Total energy: -208.269674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.269674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.320858 (E_RNA)
where:
Base-Base interactions energy: -153.660
where: short stacking energy: -60.541
Base-Backbone interact. energy: -0.016
local terms energy: -54.644583
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -9.554
flat angles P-C4'-P energy: -4.990
tors. eta vs tors. theta energy: -18.248
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -206.822769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.822769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.889363 (E_RNA)
where:
Base-Base interactions energy: -138.972
where: short stacking energy: -56.389
Base-Backbone interact. energy: -0.009
local terms energy: -67.907953
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -15.278
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -200.234652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.234652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.404977 (E_RNA)
where:
Base-Base interactions energy: -147.402
where: short stacking energy: -58.241
Base-Backbone interact. energy: 0.224
local terms energy: -53.226936
where:
bonds (distance) C4'-P energy: -10.413
bonds (distance) P-C4' energy: -14.622
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -4.119
tors. eta vs tors. theta energy: -13.145
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -204.060784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.060784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.136413 (E_RNA)
where:
Base-Base interactions energy: -151.228
where: short stacking energy: -58.392
Base-Backbone interact. energy: -0.076
local terms energy: -52.832385
where:
bonds (distance) C4'-P energy: -9.194
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -12.964
flat angles P-C4'-P energy: -3.534
tors. eta vs tors. theta energy: -12.685
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: 232
Temperature: 1.300000
Total energy: -181.529474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.529474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.504095 (E_RNA)
where:
Base-Base interactions energy: -129.630
where: short stacking energy: -61.396
Base-Backbone interact. energy: -0.064
local terms energy: -59.810579
where:
bonds (distance) C4'-P energy: -10.711
bonds (distance) P-C4' energy: -12.168
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -13.843
Dist. restrs. and SS energy: 7.975 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -177.266733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.266733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.679711 (E_RNA)
where:
Base-Base interactions energy: -132.144
where: short stacking energy: -54.321
Base-Backbone interact. energy: -0.569
local terms energy: -52.966375
where:
bonds (distance) C4'-P energy: -8.778
bonds (distance) P-C4' energy: -11.287
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -5.174
tors. eta vs tors. theta energy: -14.115
Dist. restrs. and SS energy: 8.413 (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: 10
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -217.297387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.297387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.308815 (E_RNA)
where:
Base-Base interactions energy: -151.874
where: short stacking energy: -65.131
Base-Backbone interact. energy: -0.000
local terms energy: -65.434732
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -11.791
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -18.064
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: 2, replica: 6
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -217.403554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.403554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.403554 (E_RNA)
where:
Base-Base interactions energy: -153.673
where: short stacking energy: -63.771
Base-Backbone interact. energy: -0.000
local terms energy: -63.730242
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -17.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -213.324306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.324306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.324306 (E_RNA)
where:
Base-Base interactions energy: -158.312
where: short stacking energy: -66.892
Base-Backbone interact. energy: -0.785
local terms energy: -54.226638
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -10.852
flat angles C4'-P-C4' energy: -11.465
flat angles P-C4'-P energy: -5.583
tors. eta vs tors. theta energy: -15.043
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -216.421825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.421825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.430392 (E_RNA)
where:
Base-Base interactions energy: -148.819
where: short stacking energy: -63.080
Base-Backbone interact. energy: -0.121
local terms energy: -67.490303
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -16.490
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -208.574888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.574888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.886639 (E_RNA)
where:
Base-Base interactions energy: -147.385
where: short stacking energy: -64.827
Base-Backbone interact. energy: -0.114
local terms energy: -61.387261
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -9.005
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -13.398
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: 6, replica: 8
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -204.258461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.258461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.348957 (E_RNA)
where:
Base-Base interactions energy: -136.150
where: short stacking energy: -52.312
Base-Backbone interact. energy: -0.192
local terms energy: -68.006587
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -9.105
tors. eta vs tors. theta energy: -14.664
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: 1
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -214.333397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.333397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.421576 (E_RNA)
where:
Base-Base interactions energy: -158.898
where: short stacking energy: -58.846
Base-Backbone interact. energy: 0.248
local terms energy: -55.771767
where:
bonds (distance) C4'-P energy: -12.237
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -4.085
tors. eta vs tors. theta energy: -13.726
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: 4
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -175.134033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.134033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.820204 (E_RNA)
where:
Base-Base interactions energy: -126.897
where: short stacking energy: -51.266
Base-Backbone interact. energy: -1.090
local terms energy: -53.833143
where:
bonds (distance) C4'-P energy: -11.921
bonds (distance) P-C4' energy: -12.934
flat angles C4'-P-C4' energy: -9.863
flat angles P-C4'-P energy: -6.450
tors. eta vs tors. theta energy: -12.666
Dist. restrs. and SS energy: 6.686 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -203.761385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.761385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.761385 (E_RNA)
where:
Base-Base interactions energy: -144.951
where: short stacking energy: -57.317
Base-Backbone interact. energy: 1.190
local terms energy: -60.000363
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -11.070
flat angles C4'-P-C4' energy: -11.452
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -14.741
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -173.340578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.340578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.129731 (E_RNA)
where:
Base-Base interactions energy: -129.741
where: short stacking energy: -56.059
Base-Backbone interact. energy: 1.401
local terms energy: -53.789716
where:
bonds (distance) C4'-P energy: -7.897
bonds (distance) P-C4' energy: -8.257
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -11.886
Dist. restrs. and SS energy: 8.789 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -220.840237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.840237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.855987 (E_RNA)
where:
Base-Base interactions energy: -155.202
where: short stacking energy: -65.889
Base-Backbone interact. energy: -0.018
local terms energy: -65.636118
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -17.066
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: 2, replica: 10
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -216.662040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.662040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.802878 (E_RNA)
where:
Base-Base interactions energy: -146.737
where: short stacking energy: -61.588
Base-Backbone interact. energy: -0.377
local terms energy: -69.688963
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -7.409
tors. eta vs tors. theta energy: -17.989
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -216.069364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.069364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.141969 (E_RNA)
where:
Base-Base interactions energy: -148.734
where: short stacking energy: -65.907
Base-Backbone interact. energy: -0.212
local terms energy: -67.195967
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -11.386
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -19.370
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -216.995140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.995140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.094311 (E_RNA)
where:
Base-Base interactions energy: -163.238
where: short stacking energy: -61.752
Base-Backbone interact. energy: -0.090
local terms energy: -53.766706
where:
bonds (distance) C4'-P energy: -9.578
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -10.843
flat angles P-C4'-P energy: -6.174
tors. eta vs tors. theta energy: -12.788
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: 8
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -201.918155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.918155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.001987 (E_RNA)
where:
Base-Base interactions energy: -138.315
where: short stacking energy: -59.402
Base-Backbone interact. energy: -0.417
local terms energy: -63.269651
where:
bonds (distance) C4'-P energy: -12.546
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -10.917
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -17.077
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -203.802336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.802336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.973814 (E_RNA)
where:
Base-Base interactions energy: -140.799
where: short stacking energy: -57.408
Base-Backbone interact. energy: -0.002
local terms energy: -63.173123
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -13.936
Dist. restrs. and SS energy: 0.171 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -183.443359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.443359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.699119 (E_RNA)
where:
Base-Base interactions energy: -128.649
where: short stacking energy: -56.101
Base-Backbone interact. energy: -0.150
local terms energy: -61.900336
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -14.579
Dist. restrs. and SS energy: 7.256 (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: 234
Temperature: 1.250000
Total energy: -200.661543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.661543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.725695 (E_RNA)
where:
Base-Base interactions energy: -139.139
where: short stacking energy: -56.511
Base-Backbone interact. energy: -0.001
local terms energy: -61.586015
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -12.972
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -202.282857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.282857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.369664 (E_RNA)
where:
Base-Base interactions energy: -142.819
where: short stacking energy: -56.144
Base-Backbone interact. energy: -0.257
local terms energy: -59.293788
where:
bonds (distance) C4'-P energy: -9.395
bonds (distance) P-C4' energy: -9.508
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: -16.907
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -171.929416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.929416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.242800 (E_RNA)
where:
Base-Base interactions energy: -115.863
where: short stacking energy: -48.905
Base-Backbone interact. energy: -0.014
local terms energy: -63.365006
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -13.395
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: -14.314
Dist. restrs. and SS energy: 7.313 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -230.300905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.300905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.300905 (E_RNA)
where:
Base-Base interactions energy: -170.816
where: short stacking energy: -67.692
Base-Backbone interact. energy: -0.429
local terms energy: -59.056175
where:
bonds (distance) C4'-P energy: -11.699
bonds (distance) P-C4' energy: -13.181
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -4.850
tors. eta vs tors. theta energy: -16.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -225.517182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.517182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.551920 (E_RNA)
where:
Base-Base interactions energy: -160.737
where: short stacking energy: -71.037
Base-Backbone interact. energy: -0.001
local terms energy: -64.814511
where:
bonds (distance) C4'-P energy: -9.246
bonds (distance) P-C4' energy: -12.338
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: -17.290
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: 235
Temperature: 1.000000
Total energy: -219.498209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.498209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.498209 (E_RNA)
where:
Base-Base interactions energy: -149.853
where: short stacking energy: -62.917
Base-Backbone interact. energy: -0.042
local terms energy: -69.603420
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -19.827
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -216.092596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.092596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.092596 (E_RNA)
where:
Base-Base interactions energy: -164.370
where: short stacking energy: -61.327
Base-Backbone interact. energy: -0.298
local terms energy: -51.424679
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -8.492
flat angles P-C4'-P energy: -2.244
tors. eta vs tors. theta energy: -15.164
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -203.062142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.062142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.062142 (E_RNA)
where:
Base-Base interactions energy: -138.411
where: short stacking energy: -53.713
Base-Backbone interact. energy: -0.001
local terms energy: -64.649677
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -15.828
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -207.544688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.544688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.686652 (E_RNA)
where:
Base-Base interactions energy: -142.379
where: short stacking energy: -55.793
Base-Backbone interact. energy: 0.000
local terms energy: -65.307519
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: -13.878
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -184.127654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.127654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.180222 (E_RNA)
where:
Base-Base interactions energy: -130.537
where: short stacking energy: -57.009
Base-Backbone interact. energy: -0.627
local terms energy: -61.015978
where:
bonds (distance) C4'-P energy: -10.633
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -7.472
tors. eta vs tors. theta energy: -15.245
Dist. restrs. and SS energy: 8.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -198.214501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.214501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.332163 (E_RNA)
where:
Base-Base interactions energy: -138.457
where: short stacking energy: -54.261
Base-Backbone interact. energy: -0.174
local terms energy: -59.701136
where:
bonds (distance) C4'-P energy: -9.388
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -10.722
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -15.553
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -196.585528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.585528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.701056 (E_RNA)
where:
Base-Base interactions energy: -140.163
where: short stacking energy: -59.128
Base-Backbone interact. energy: -0.033
local terms energy: -56.505667
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -6.893
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -5.345
tors. eta vs tors. theta energy: -16.780
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: 235
Temperature: 1.350000
Total energy: -170.838327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.838327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.885845 (E_RNA)
where:
Base-Base interactions energy: -120.257
where: short stacking energy: -42.541
Base-Backbone interact. energy: -0.152
local terms energy: -57.476659
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -11.671
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -12.567
Dist. restrs. and SS energy: 7.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -230.368991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.368991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.368991 (E_RNA)
where:
Base-Base interactions energy: -174.470
where: short stacking energy: -71.533
Base-Backbone interact. energy: -0.039
local terms energy: -55.859754
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -12.674
flat angles C4'-P-C4' energy: -10.568
flat angles P-C4'-P energy: -3.832
tors. eta vs tors. theta energy: -18.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -224.415676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.415676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.512748 (E_RNA)
where:
Base-Base interactions energy: -165.799
where: short stacking energy: -66.911
Base-Backbone interact. energy: -0.212
local terms energy: -58.502353
where:
bonds (distance) C4'-P energy: -10.455
bonds (distance) P-C4' energy: -10.042
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -7.218
tors. eta vs tors. theta energy: -15.924
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: 9
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -219.119128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.119128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.119128 (E_RNA)
where:
Base-Base interactions energy: -148.370
where: short stacking energy: -57.671
Base-Backbone interact. energy: -0.011
local terms energy: -70.737906
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -11.437
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -16.976
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -214.538471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.538471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.549324 (E_RNA)
where:
Base-Base interactions energy: -149.606
where: short stacking energy: -57.669
Base-Backbone interact. energy: -0.097
local terms energy: -64.846267
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -14.730
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -9.797
tors. eta vs tors. theta energy: -14.936
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: 236
Temperature: 1.100000
Total energy: -213.361293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.361293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.417673 (E_RNA)
where:
Base-Base interactions energy: -146.349
where: short stacking energy: -63.931
Base-Backbone interact. energy: -0.002
local terms energy: -67.066269
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -10.349
flat angles C4'-P-C4' energy: -13.775
flat angles P-C4'-P energy: -6.489
tors. eta vs tors. theta energy: -20.911
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: 7
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -222.202240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.202240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.274535 (E_RNA)
where:
Base-Base interactions energy: -155.164
where: short stacking energy: -63.298
Base-Backbone interact. energy: -0.001
local terms energy: -67.109941
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -17.959
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: 3
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -201.609115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.609115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.687052 (E_RNA)
where:
Base-Base interactions energy: -138.987
where: short stacking energy: -53.620
Base-Backbone interact. energy: -0.063
local terms energy: -62.636706
where:
bonds (distance) C4'-P energy: -10.169
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -10.858
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -17.501
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: 236
Temperature: 1.250000
Total energy: -186.704766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.704766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.530033 (E_RNA)
where:
Base-Base interactions energy: -132.242
where: short stacking energy: -60.545
Base-Backbone interact. energy: 1.521
local terms energy: -63.808653
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -10.583
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -17.940
Dist. restrs. and SS energy: 7.825 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -189.627803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.627803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.738995 (E_RNA)
where:
Base-Base interactions energy: -134.983
where: short stacking energy: -51.194
Base-Backbone interact. energy: -0.001
local terms energy: -54.755451
where:
bonds (distance) C4'-P energy: -4.888
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -15.426
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -174.529158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.529158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.260396 (E_RNA)
where:
Base-Base interactions energy: -125.018
where: short stacking energy: -48.862
Base-Backbone interact. energy: -0.240
local terms energy: -57.001829
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -3.910
tors. eta vs tors. theta energy: -11.921
Dist. restrs. and SS energy: 7.731 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -232.419745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.419745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.438258 (E_RNA)
where:
Base-Base interactions energy: -168.954
where: short stacking energy: -67.834
Base-Backbone interact. energy: -0.013
local terms energy: -63.471021
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -11.548
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -6.581
tors. eta vs tors. theta energy: -17.081
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: 10
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -230.302163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.302163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.321481 (E_RNA)
where:
Base-Base interactions energy: -171.588
where: short stacking energy: -70.916
Base-Backbone interact. energy: -0.002
local terms energy: -58.731411
where:
bonds (distance) C4'-P energy: -8.919
bonds (distance) P-C4' energy: -12.414
flat angles C4'-P-C4' energy: -16.297
flat angles P-C4'-P energy: -4.561
tors. eta vs tors. theta energy: -16.540
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -218.399183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.399183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.413022 (E_RNA)
where:
Base-Base interactions energy: -154.272
where: short stacking energy: -59.682
Base-Backbone interact. energy: -0.002
local terms energy: -64.138950
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -7.076
tors. eta vs tors. theta energy: -18.566
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -210.600706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.600706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.737874 (E_RNA)
where:
Base-Base interactions energy: -150.220
where: short stacking energy: -60.851
Base-Backbone interact. energy: -0.000
local terms energy: -60.517595
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -10.964
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -7.753
tors. eta vs tors. theta energy: -15.914
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -203.017302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.017302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.032789 (E_RNA)
where:
Base-Base interactions energy: -146.657
where: short stacking energy: -56.725
Base-Backbone interact. energy: -0.075
local terms energy: -56.300625
where:
bonds (distance) C4'-P energy: -8.531
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -15.206
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -11.406
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: 3
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -201.810116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.810116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.831138 (E_RNA)
where:
Base-Base interactions energy: -138.640
where: short stacking energy: -50.095
Base-Backbone interact. energy: -0.257
local terms energy: -62.933360
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -11.513
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: 237
Temperature: 1.200000
Total energy: -204.950289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.950289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.044512 (E_RNA)
where:
Base-Base interactions energy: -148.051
where: short stacking energy: -58.834
Base-Backbone interact. energy: -0.054
local terms energy: -56.938797
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -10.018
flat angles C4'-P-C4' energy: -10.713
flat angles P-C4'-P energy: -9.698
tors. eta vs tors. theta energy: -16.084
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -206.848061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.848061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.058718 (E_RNA)
where:
Base-Base interactions energy: -149.817
where: short stacking energy: -60.434
Base-Backbone interact. energy: 0.562
local terms energy: -57.804224
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -9.433
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -12.810
Dist. restrs. and SS energy: 0.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -181.012761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.012761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.540959 (E_RNA)
where:
Base-Base interactions energy: -136.019
where: short stacking energy: -53.368
Base-Backbone interact. energy: -0.005
local terms energy: -53.516722
where:
bonds (distance) C4'-P energy: -8.496
bonds (distance) P-C4' energy: -9.001
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -5.922
tors. eta vs tors. theta energy: -16.228
Dist. restrs. and SS energy: 8.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -167.541782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.541782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.075251 (E_RNA)
where:
Base-Base interactions energy: -116.121
where: short stacking energy: -45.366
Base-Backbone interact. energy: 1.388
local terms energy: -60.341466
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -11.839
flat angles P-C4'-P energy: -4.748
tors. eta vs tors. theta energy: -14.711
Dist. restrs. and SS energy: 7.533 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -222.725114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.725114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.753598 (E_RNA)
where:
Base-Base interactions energy: -158.749
where: short stacking energy: -63.452
Base-Backbone interact. energy: -0.662
local terms energy: -63.342842
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -6.646
tors. eta vs tors. theta energy: -16.275
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -220.437603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.437603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.437603 (E_RNA)
where:
Base-Base interactions energy: -152.679
where: short stacking energy: -64.936
Base-Backbone interact. energy: -0.575
local terms energy: -67.183831
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -11.574
tors. eta vs tors. theta energy: -17.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -221.081016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.081016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.132597 (E_RNA)
where:
Base-Base interactions energy: -160.321
where: short stacking energy: -61.137
Base-Backbone interact. energy: -0.269
local terms energy: -60.543267
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -6.099
tors. eta vs tors. theta energy: -16.966
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -206.799228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.799228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.799228 (E_RNA)
where:
Base-Base interactions energy: -156.007
where: short stacking energy: -57.099
Base-Backbone interact. energy: 0.233
local terms energy: -51.025255
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -11.772
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -2.548
tors. eta vs tors. theta energy: -12.780
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -199.391667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.391667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.421558 (E_RNA)
where:
Base-Base interactions energy: -143.487
where: short stacking energy: -59.442
Base-Backbone interact. energy: -0.000
local terms energy: -55.934614
where:
bonds (distance) C4'-P energy: -8.465
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -10.394
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -15.368
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: 238
Temperature: 1.150000
Total energy: -203.305789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.305789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.382757 (E_RNA)
where:
Base-Base interactions energy: -135.900
where: short stacking energy: -49.568
Base-Backbone interact. energy: -0.000
local terms energy: -67.482649
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -13.965
flat angles C4'-P-C4' energy: -10.506
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -16.534
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -202.172141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.172141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.303173 (E_RNA)
where:
Base-Base interactions energy: -140.891
where: short stacking energy: -50.468
Base-Backbone interact. energy: -0.009
local terms energy: -61.402537
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -14.823
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -209.242944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.242944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.358875 (E_RNA)
where:
Base-Base interactions energy: -148.667
where: short stacking energy: -60.431
Base-Backbone interact. energy: -0.001
local terms energy: -60.690512
where:
bonds (distance) C4'-P energy: -9.909
bonds (distance) P-C4' energy: -12.506
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -5.198
tors. eta vs tors. theta energy: -18.645
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -193.215669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.215669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.237142 (E_RNA)
where:
Base-Base interactions energy: -130.866
where: short stacking energy: -56.875
Base-Backbone interact. energy: -0.162
local terms energy: -69.208872
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -12.790
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -17.209
Dist. restrs. and SS energy: 7.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -170.175523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.175523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.575330 (E_RNA)
where:
Base-Base interactions energy: -123.592
where: short stacking energy: -51.497
Base-Backbone interact. energy: -0.009
local terms energy: -53.974333
where:
bonds (distance) C4'-P energy: -13.037
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -9.621
flat angles P-C4'-P energy: -6.033
tors. eta vs tors. theta energy: -12.872
Dist. restrs. and SS energy: 7.400 (S_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: 239
Temperature: 0.900000
Total energy: -230.533976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.533976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.534542 (E_RNA)
where:
Base-Base interactions energy: -166.911
where: short stacking energy: -69.117
Base-Backbone interact. energy: -0.026
local terms energy: -63.597613
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -5.033
tors. eta vs tors. theta energy: -20.395
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: 9
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -215.195677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.195677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.202628 (E_RNA)
where:
Base-Base interactions energy: -146.304
where: short stacking energy: -58.584
Base-Backbone interact. energy: -0.001
local terms energy: -68.897403
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -11.733
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -17.969
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -209.872125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.872125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.958888 (E_RNA)
where:
Base-Base interactions energy: -144.838
where: short stacking energy: -60.708
Base-Backbone interact. energy: 0.704
local terms energy: -65.824439
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -13.119
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -14.828
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: 3
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -220.476630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.476630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.480079 (E_RNA)
where:
Base-Base interactions energy: -159.397
where: short stacking energy: -64.550
Base-Backbone interact. energy: -0.012
local terms energy: -61.070567
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -15.574
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: 239
Temperature: 1.100000
Total energy: -211.803239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.803239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.936898 (E_RNA)
where:
Base-Base interactions energy: -153.624
where: short stacking energy: -63.309
Base-Backbone interact. energy: -0.006
local terms energy: -58.306063
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -3.063
tors. eta vs tors. theta energy: -15.446
Dist. restrs. and SS energy: 0.134 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -207.171847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.171847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.171847 (E_RNA)
where:
Base-Base interactions energy: -159.472
where: short stacking energy: -62.208
Base-Backbone interact. energy: 1.009
local terms energy: -48.708779
where:
bonds (distance) C4'-P energy: -6.287
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -10.356
flat angles P-C4'-P energy: -5.609
tors. eta vs tors. theta energy: -14.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -201.081526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.081526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.234376 (E_RNA)
where:
Base-Base interactions energy: -146.815
where: short stacking energy: -60.934
Base-Backbone interact. energy: -0.005
local terms energy: -54.414619
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -10.951
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -4.329
tors. eta vs tors. theta energy: -13.832
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: 7
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -201.048066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.048066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.084412 (E_RNA)
where:
Base-Base interactions energy: -138.412
where: short stacking energy: -50.997
Base-Backbone interact. energy: -0.084
local terms energy: -62.588375
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -11.865
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -14.268
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: 9, replica: 5
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -175.006497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.006497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.497114 (E_RNA)
where:
Base-Base interactions energy: -128.623
where: short stacking energy: -55.818
Base-Backbone interact. energy: -0.093
local terms energy: -53.780537
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -11.079
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -6.802
tors. eta vs tors. theta energy: -11.907
Dist. restrs. and SS energy: 7.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -179.718666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.718666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.127145 (E_RNA)
where:
Base-Base interactions energy: -124.536
where: short stacking energy: -51.021
Base-Backbone interact. energy: -2.062
local terms energy: -61.528911
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -8.757
tors. eta vs tors. theta energy: -12.539
Dist. restrs. and SS energy: 8.408 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -231.481262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.481262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.661916 (E_RNA)
where:
Base-Base interactions energy: -170.459
where: short stacking energy: -69.976
Base-Backbone interact. energy: -0.244
local terms energy: -60.959059
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -4.206
tors. eta vs tors. theta energy: -17.405
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: 2, replica: 10
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -223.417584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.417584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.417584 (E_RNA)
where:
Base-Base interactions energy: -153.702
where: short stacking energy: -62.018
Base-Backbone interact. energy: -0.013
local terms energy: -69.702804
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -13.202
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -16.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -217.287607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.287607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.453438 (E_RNA)
where:
Base-Base interactions energy: -152.584
where: short stacking energy: -63.837
Base-Backbone interact. energy: 1.525
local terms energy: -66.394772
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -13.584
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -215.216870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.216870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.216870 (E_RNA)
where:
Base-Base interactions energy: -156.018
where: short stacking energy: -63.407
Base-Backbone interact. energy: -0.570
local terms energy: -58.629175
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -11.688
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: -13.651
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -200.262439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.262439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.337860 (E_RNA)
where:
Base-Base interactions energy: -135.768
where: short stacking energy: -53.835
Base-Backbone interact. energy: 0.284
local terms energy: -64.853812
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -11.130
tors. eta vs tors. theta energy: -13.356
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -205.555526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.555526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.555526 (E_RNA)
where:
Base-Base interactions energy: -141.880
where: short stacking energy: -56.097
Base-Backbone interact. energy: -0.072
local terms energy: -63.603770
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -10.875
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -18.267
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -195.150545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.150545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.241406 (E_RNA)
where:
Base-Base interactions energy: -130.684
where: short stacking energy: -49.845
Base-Backbone interact. energy: -0.075
local terms energy: -64.482317
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -6.191
tors. eta vs tors. theta energy: -15.054
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -198.451006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.451006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.473649 (E_RNA)
where:
Base-Base interactions energy: -138.988
where: short stacking energy: -58.198
Base-Backbone interact. energy: -0.001
local terms energy: -59.483868
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -3.330
tors. eta vs tors. theta energy: -16.611
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -173.062351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.062351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.063222 (E_RNA)
where:
Base-Base interactions energy: -121.018
where: short stacking energy: -53.812
Base-Backbone interact. energy: -0.044
local terms energy: -61.001303
where:
bonds (distance) C4'-P energy: -10.723
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -14.407
Dist. restrs. and SS energy: 9.001 (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: 240
Temperature: 1.350000
Total energy: -175.946918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.946918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.076697 (E_RNA)
where:
Base-Base interactions energy: -129.255
where: short stacking energy: -57.366
Base-Backbone interact. energy: -1.058
local terms energy: -52.764003
where:
bonds (distance) C4'-P energy: -7.967
bonds (distance) P-C4' energy: -7.455
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -15.548
Dist. restrs. and SS energy: 7.130 (S_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: 241
Temperature: 0.900000
Total energy: -221.445866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.445866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.446684 (E_RNA)
where:
Base-Base interactions energy: -159.811
where: short stacking energy: -65.564
Base-Backbone interact. energy: -0.006
local terms energy: -61.629200
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -16.925
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: 6
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -217.719079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.719079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.004514 (E_RNA)
where:
Base-Base interactions energy: -150.713
where: short stacking energy: -64.247
Base-Backbone interact. energy: 0.379
local terms energy: -67.670592
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -11.643
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -9.696
tors. eta vs tors. theta energy: -18.197
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: 3, replica: 10
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -213.377902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.377902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.413425 (E_RNA)
where:
Base-Base interactions energy: -152.810
where: short stacking energy: -58.704
Base-Backbone interact. energy: -0.096
local terms energy: -60.507087
where:
bonds (distance) C4'-P energy: -10.028
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -14.022
flat angles P-C4'-P energy: -4.809
tors. eta vs tors. theta energy: -16.330
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -207.124173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.124173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.234872 (E_RNA)
where:
Base-Base interactions energy: -144.549
where: short stacking energy: -67.298
Base-Backbone interact. energy: -0.019
local terms energy: -62.666834
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -9.523
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -16.930
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -212.146154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.146154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.287613 (E_RNA)
where:
Base-Base interactions energy: -150.924
where: short stacking energy: -60.918
Base-Backbone interact. energy: -0.001
local terms energy: -61.363265
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -10.000
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -7.842
tors. eta vs tors. theta energy: -15.202
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: 7
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -194.623667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.623667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.824437 (E_RNA)
where:
Base-Base interactions energy: -135.029
where: short stacking energy: -44.783
Base-Backbone interact. energy: 1.291
local terms energy: -61.087188
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -11.578
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: 241
Temperature: 1.200000
Total energy: -199.943834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.943834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.275468 (E_RNA)
where:
Base-Base interactions energy: -145.553
where: short stacking energy: -60.374
Base-Backbone interact. energy: -0.008
local terms energy: -54.714774
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -10.723
flat angles P-C4'-P energy: -7.251
tors. eta vs tors. theta energy: -14.744
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: 8, replica: 4
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -180.426456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.426456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.062117 (E_RNA)
where:
Base-Base interactions energy: -126.780
where: short stacking energy: -49.652
Base-Backbone interact. energy: -0.739
local terms energy: -60.543600
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -11.526
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -13.301
Dist. restrs. and SS energy: 7.636 (S_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: 241
Temperature: 1.300000
Total energy: -196.352060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.352060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.355209 (E_RNA)
where:
Base-Base interactions energy: -141.044
where: short stacking energy: -56.920
Base-Backbone interact. energy: -0.001
local terms energy: -55.310668
where:
bonds (distance) C4'-P energy: -8.573
bonds (distance) P-C4' energy: -9.540
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -16.098
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: 241
Temperature: 1.350000
Total energy: -170.626895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.626895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.004784 (E_RNA)
where:
Base-Base interactions energy: -124.586
where: short stacking energy: -55.088
Base-Backbone interact. energy: 0.002
local terms energy: -52.420250
where:
bonds (distance) C4'-P energy: -9.175
bonds (distance) P-C4' energy: -6.988
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -9.183
tors. eta vs tors. theta energy: -13.854
Dist. restrs. and SS energy: 6.378 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -224.590186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.590186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.624979 (E_RNA)
where:
Base-Base interactions energy: -162.133
where: short stacking energy: -66.366
Base-Backbone interact. energy: -0.239
local terms energy: -62.253348
where:
bonds (distance) C4'-P energy: -9.880
bonds (distance) P-C4' energy: -12.638
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -18.299
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: 242
Temperature: 0.950000
Total energy: -215.661619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.661619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.699713 (E_RNA)
where:
Base-Base interactions energy: -151.763
where: short stacking energy: -63.540
Base-Backbone interact. energy: -0.199
local terms energy: -63.738201
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -10.455
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -18.218
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: 242
Temperature: 1.000000
Total energy: -218.222397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.222397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.392779 (E_RNA)
where:
Base-Base interactions energy: -150.817
where: short stacking energy: -60.568
Base-Backbone interact. energy: -0.000
local terms energy: -67.575743
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -8.083
tors. eta vs tors. theta energy: -18.297
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -217.002849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.002849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.062733 (E_RNA)
where:
Base-Base interactions energy: -159.022
where: short stacking energy: -61.011
Base-Backbone interact. energy: -0.009
local terms energy: -58.032167
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -2.385
tors. eta vs tors. theta energy: -15.324
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: 3
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -210.267014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.267014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.326388 (E_RNA)
where:
Base-Base interactions energy: -151.699
where: short stacking energy: -59.789
Base-Backbone interact. energy: -0.001
local terms energy: -58.625685
where:
bonds (distance) C4'-P energy: -10.124
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -6.191
tors. eta vs tors. theta energy: -15.454
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -204.312411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.312411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.444574 (E_RNA)
where:
Base-Base interactions energy: -143.915
where: short stacking energy: -58.307
Base-Backbone interact. energy: 1.286
local terms energy: -61.816084
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: -15.074
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: 242
Temperature: 1.200000
Total energy: -207.240275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.240275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.240275 (E_RNA)
where:
Base-Base interactions energy: -153.061
where: short stacking energy: -59.939
Base-Backbone interact. energy: -0.077
local terms energy: -54.102531
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -8.831
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -13.593
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -180.414334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.414334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.085473 (E_RNA)
where:
Base-Base interactions energy: -124.997
where: short stacking energy: -48.591
Base-Backbone interact. energy: -0.146
local terms energy: -62.942518
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -12.203
Dist. restrs. and SS energy: 7.671 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -186.640507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.640507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.272977 (E_RNA)
where:
Base-Base interactions energy: -138.694
where: short stacking energy: -58.112
Base-Backbone interact. energy: -0.509
local terms energy: -54.069808
where:
bonds (distance) C4'-P energy: -5.810
bonds (distance) P-C4' energy: -9.539
flat angles C4'-P-C4' energy: -12.883
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -15.839
Dist. restrs. and SS energy: 6.632 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -192.187943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.187943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.216459 (E_RNA)
where:
Base-Base interactions energy: -132.611
where: short stacking energy: -50.740
Base-Backbone interact. energy: -0.707
local terms energy: -58.898874
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -9.820
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -13.971
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -226.788996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.788996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.877846 (E_RNA)
where:
Base-Base interactions energy: -164.777
where: short stacking energy: -68.654
Base-Backbone interact. energy: 0.320
local terms energy: -62.421308
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -6.481
tors. eta vs tors. theta energy: -16.850
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -219.263841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.263841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.343614 (E_RNA)
where:
Base-Base interactions energy: -154.915
where: short stacking energy: -62.901
Base-Backbone interact. energy: -0.099
local terms energy: -64.329169
where:
bonds (distance) C4'-P energy: -10.781
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -16.938
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -207.438067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.438067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.594240 (E_RNA)
where:
Base-Base interactions energy: -141.828
where: short stacking energy: -59.924
Base-Backbone interact. energy: -0.604
local terms energy: -65.162985
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -14.573
flat angles P-C4'-P energy: -8.067
tors. eta vs tors. theta energy: -13.857
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: 10
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -211.174452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.174452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.212540 (E_RNA)
where:
Base-Base interactions energy: -149.034
where: short stacking energy: -62.359
Base-Backbone interact. energy: 0.568
local terms energy: -62.746077
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -9.796
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -16.473
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: 243
Temperature: 1.100000
Total energy: -209.801496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.801496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.801496 (E_RNA)
where:
Base-Base interactions energy: -145.845
where: short stacking energy: -57.668
Base-Backbone interact. energy: -0.019
local terms energy: -63.938037
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -15.038
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -202.315995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.315995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.515400 (E_RNA)
where:
Base-Base interactions energy: -141.628
where: short stacking energy: -56.344
Base-Backbone interact. energy: -0.003
local terms energy: -60.884248
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -13.544
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -13.818
Dist. restrs. and SS energy: 0.199 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -190.540400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.540400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.589936 (E_RNA)
where:
Base-Base interactions energy: -137.979
where: short stacking energy: -57.639
Base-Backbone interact. energy: 1.328
local terms energy: -53.938787
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -11.444
flat angles C4'-P-C4' energy: -10.412
flat angles P-C4'-P energy: -6.088
tors. eta vs tors. theta energy: -12.256
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: 5
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -175.711025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.711025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.445828 (E_RNA)
where:
Base-Base interactions energy: -128.935
where: short stacking energy: -52.560
Base-Backbone interact. energy: -0.917
local terms energy: -54.593320
where:
bonds (distance) C4'-P energy: -8.824
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -5.590
tors. eta vs tors. theta energy: -13.656
Dist. restrs. and SS energy: 8.735 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -178.002826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.002826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.472523 (E_RNA)
where:
Base-Base interactions energy: -127.654
where: short stacking energy: -52.254
Base-Backbone interact. energy: 0.893
local terms energy: -56.711577
where:
bonds (distance) C4'-P energy: -9.370
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -7.905
tors. eta vs tors. theta energy: -13.472
Dist. restrs. and SS energy: 5.470 (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: 2
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -193.203190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.203190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.287425 (E_RNA)
where:
Base-Base interactions energy: -137.865
where: short stacking energy: -56.371
Base-Backbone interact. energy: -0.065
local terms energy: -55.358056
where:
bonds (distance) C4'-P energy: -12.008
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -10.160
flat angles P-C4'-P energy: -5.795
tors. eta vs tors. theta energy: -14.475
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: 1, replica: 1
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -232.214992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.214992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.222116 (E_RNA)
where:
Base-Base interactions energy: -162.256
where: short stacking energy: -67.156
Base-Backbone interact. energy: -0.001
local terms energy: -69.966032
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -7.549
tors. eta vs tors. theta energy: -18.468
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -230.852462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.852462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.923675 (E_RNA)
where:
Base-Base interactions energy: -163.754
where: short stacking energy: -68.102
Base-Backbone interact. energy: -0.000
local terms energy: -67.169859
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -7.858
tors. eta vs tors. theta energy: -14.851
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: 9
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -214.399639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.399639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.428395 (E_RNA)
where:
Base-Base interactions energy: -151.015
where: short stacking energy: -63.033
Base-Backbone interact. energy: 0.063
local terms energy: -63.476537
where:
bonds (distance) C4'-P energy: -11.521
bonds (distance) P-C4' energy: -11.429
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -17.084
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -209.825017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.825017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.876103 (E_RNA)
where:
Base-Base interactions energy: -156.329
where: short stacking energy: -67.479
Base-Backbone interact. energy: -0.010
local terms energy: -53.537308
where:
bonds (distance) C4'-P energy: -8.112
bonds (distance) P-C4' energy: -9.689
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: -4.380
tors. eta vs tors. theta energy: -19.591
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -214.785371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.785371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.816532 (E_RNA)
where:
Base-Base interactions energy: -147.155
where: short stacking energy: -61.478
Base-Backbone interact. energy: -0.087
local terms energy: -67.574980
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -13.935
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -16.767
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: 3
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -210.352403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.352403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.446819 (E_RNA)
where:
Base-Base interactions energy: -146.128
where: short stacking energy: -61.719
Base-Backbone interact. energy: -0.000
local terms energy: -64.318774
where:
bonds (distance) C4'-P energy: -8.858
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -15.968
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: 5
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -196.264420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.264420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.759262 (E_RNA)
where:
Base-Base interactions energy: -144.925
where: short stacking energy: -55.391
Base-Backbone interact. energy: -0.276
local terms energy: -59.558042
where:
bonds (distance) C4'-P energy: -9.876
bonds (distance) P-C4' energy: -10.361
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -14.716
Dist. restrs. and SS energy: 8.495 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -206.721386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.721386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.736501 (E_RNA)
where:
Base-Base interactions energy: -152.476
where: short stacking energy: -63.403
Base-Backbone interact. energy: -0.002
local terms energy: -54.258317
where:
bonds (distance) C4'-P energy: -6.261
bonds (distance) P-C4' energy: -12.482
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -4.808
tors. eta vs tors. theta energy: -17.160
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -196.724907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.724907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.813506 (E_RNA)
where:
Base-Base interactions energy: -140.614
where: short stacking energy: -55.361
Base-Backbone interact. energy: -0.143
local terms energy: -56.056230
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -11.464
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -2.452
tors. eta vs tors. theta energy: -15.297
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -178.277109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.277109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.122584 (E_RNA)
where:
Base-Base interactions energy: -123.360
where: short stacking energy: -55.773
Base-Backbone interact. energy: -0.002
local terms energy: -61.760020
where:
bonds (distance) C4'-P energy: -12.563
bonds (distance) P-C4' energy: -12.287
flat angles C4'-P-C4' energy: -12.022
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -15.342
Dist. restrs. and SS energy: 6.845 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -217.705167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.705167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.721446 (E_RNA)
where:
Base-Base interactions energy: -149.308
where: short stacking energy: -60.121
Base-Backbone interact. energy: -0.130
local terms energy: -68.283362
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -18.608
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: 245
Temperature: 0.950000
Total energy: -233.584607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.584607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.584607 (E_RNA)
where:
Base-Base interactions energy: -171.337
where: short stacking energy: -66.328
Base-Backbone interact. energy: -0.007
local terms energy: -62.241241
where:
bonds (distance) C4'-P energy: -11.706
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -4.998
tors. eta vs tors. theta energy: -15.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -220.818366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.818366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.917254 (E_RNA)
where:
Base-Base interactions energy: -168.197
where: short stacking energy: -68.073
Base-Backbone interact. energy: -0.032
local terms energy: -52.688903
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -9.446
flat angles C4'-P-C4' energy: -11.067
flat angles P-C4'-P energy: -3.851
tors. eta vs tors. theta energy: -17.397
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -210.238682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.238682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.399383 (E_RNA)
where:
Base-Base interactions energy: -143.096
where: short stacking energy: -64.573
Base-Backbone interact. energy: -0.000
local terms energy: -67.303100
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -8.361
tors. eta vs tors. theta energy: -17.992
Dist. restrs. and SS energy: 0.161 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -208.553532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.553532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.625079 (E_RNA)
where:
Base-Base interactions energy: -156.300
where: short stacking energy: -60.926
Base-Backbone interact. energy: -0.344
local terms energy: -51.981353
where:
bonds (distance) C4'-P energy: -8.857
bonds (distance) P-C4' energy: -12.660
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -3.618
tors. eta vs tors. theta energy: -14.684
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: 5
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -196.299986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.299986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.707228 (E_RNA)
where:
Base-Base interactions energy: -138.599
where: short stacking energy: -60.642
Base-Backbone interact. energy: 0.327
local terms energy: -65.435615
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -11.011
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -20.223
Dist. restrs. and SS energy: 7.407 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -203.463264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.463264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.551380 (E_RNA)
where:
Base-Base interactions energy: -146.142
where: short stacking energy: -56.229
Base-Backbone interact. energy: -0.055
local terms energy: -57.353541
where:
bonds (distance) C4'-P energy: -9.113
bonds (distance) P-C4' energy: -10.195
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: -16.700
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: 7
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -196.792156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.792156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.992929 (E_RNA)
where:
Base-Base interactions energy: -138.329
where: short stacking energy: -60.507
Base-Backbone interact. energy: -0.006
local terms energy: -58.657702
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -8.355
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -14.705
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: 2
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -208.195453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.195453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.217874 (E_RNA)
where:
Base-Base interactions energy: -142.125
where: short stacking energy: -54.865
Base-Backbone interact. energy: -0.760
local terms energy: -65.332137
where:
bonds (distance) C4'-P energy: -9.597
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -16.247
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: 245
Temperature: 1.350000
Total energy: -173.206593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.206593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.866420 (E_RNA)
where:
Base-Base interactions energy: -120.805
where: short stacking energy: -44.248
Base-Backbone interact. energy: -0.716
local terms energy: -59.344782
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -13.529
Dist. restrs. and SS energy: 7.660 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -233.099240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.099240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.136592 (E_RNA)
where:
Base-Base interactions energy: -166.379
where: short stacking energy: -64.768
Base-Backbone interact. energy: -0.029
local terms energy: -66.728438
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -12.256
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: -18.276
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -211.746437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.746437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.768342 (E_RNA)
where:
Base-Base interactions energy: -149.105
where: short stacking energy: -62.744
Base-Backbone interact. energy: 0.147
local terms energy: -62.810630
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -11.606
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -17.197
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: 8
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -217.809677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.809677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.922017 (E_RNA)
where:
Base-Base interactions energy: -151.230
where: short stacking energy: -62.644
Base-Backbone interact. energy: -0.007
local terms energy: -66.685041
where:
bonds (distance) C4'-P energy: -10.781
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -16.118
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: 246
Temperature: 1.050000
Total energy: -210.330134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.330134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.361527 (E_RNA)
where:
Base-Base interactions energy: -143.484
where: short stacking energy: -55.943
Base-Backbone interact. energy: -0.105
local terms energy: -66.772152
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -17.019
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: 246
Temperature: 1.100000
Total energy: -208.873961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.873961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.906466 (E_RNA)
where:
Base-Base interactions energy: -147.597
where: short stacking energy: -64.050
Base-Backbone interact. energy: 0.399
local terms energy: -61.708097
where:
bonds (distance) C4'-P energy: -12.951
bonds (distance) P-C4' energy: -9.684
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -9.101
tors. eta vs tors. theta energy: -16.417
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -189.626481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.626481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.210426 (E_RNA)
where:
Base-Base interactions energy: -138.371
where: short stacking energy: -60.097
Base-Backbone interact. energy: -1.429
local terms energy: -57.410601
where:
bonds (distance) C4'-P energy: -6.311
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -16.076
Dist. restrs. and SS energy: 7.584 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -209.826528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.826528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.839475 (E_RNA)
where:
Base-Base interactions energy: -151.956
where: short stacking energy: -55.008
Base-Backbone interact. energy: -1.155
local terms energy: -56.727669
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -12.201
flat angles P-C4'-P energy: -5.867
tors. eta vs tors. theta energy: -12.535
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: 3
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -196.771628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.771628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.133255 (E_RNA)
where:
Base-Base interactions energy: -133.812
where: short stacking energy: -55.623
Base-Backbone interact. energy: -0.591
local terms energy: -62.730183
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -14.821
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: 9, replica: 4
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -171.058048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.058048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.954007 (E_RNA)
where:
Base-Base interactions energy: -120.158
where: short stacking energy: -51.041
Base-Backbone interact. energy: -0.004
local terms energy: -56.792188
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -7.868
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -14.734
Dist. restrs. and SS energy: 5.896 (S_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: 246
Temperature: 1.350000
Total energy: -195.888874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.888874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.023880 (E_RNA)
where:
Base-Base interactions energy: -136.942
where: short stacking energy: -49.038
Base-Backbone interact. energy: -0.098
local terms energy: -58.983749
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: -13.964
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: 6
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -239.589900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.589900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.703024 (E_RNA)
where:
Base-Base interactions energy: -172.906
where: short stacking energy: -70.055
Base-Backbone interact. energy: -0.132
local terms energy: -66.664827
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -4.568
tors. eta vs tors. theta energy: -18.250
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -221.582480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.582480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.629924 (E_RNA)
where:
Base-Base interactions energy: -161.677
where: short stacking energy: -60.308
Base-Backbone interact. energy: 0.288
local terms energy: -60.240181
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -2.920
tors. eta vs tors. theta energy: -14.858
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: 247
Temperature: 1.000000
Total energy: -212.203657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.203657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.217307 (E_RNA)
where:
Base-Base interactions energy: -144.902
where: short stacking energy: -57.730
Base-Backbone interact. energy: -0.003
local terms energy: -67.312345
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -5.554
tors. eta vs tors. theta energy: -18.187
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -218.512123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.512123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.542710 (E_RNA)
where:
Base-Base interactions energy: -158.500
where: short stacking energy: -67.513
Base-Backbone interact. energy: -0.020
local terms energy: -60.022081
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -6.830
tors. eta vs tors. theta energy: -16.368
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -208.570513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.570513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.683179 (E_RNA)
where:
Base-Base interactions energy: -144.809
where: short stacking energy: -62.485
Base-Backbone interact. energy: -0.001
local terms energy: -63.873041
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -12.974
flat angles C4'-P-C4' energy: -12.361
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -16.160
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: 7
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -209.957541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.957541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.996710 (E_RNA)
where:
Base-Base interactions energy: -158.926
where: short stacking energy: -58.745
Base-Backbone interact. energy: -0.415
local terms energy: -50.656048
where:
bonds (distance) C4'-P energy: -8.724
bonds (distance) P-C4' energy: -10.831
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -4.481
tors. eta vs tors. theta energy: -13.871
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: 247
Temperature: 1.200000
Total energy: -186.560846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.560846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.575254 (E_RNA)
where:
Base-Base interactions energy: -127.470
where: short stacking energy: -58.583
Base-Backbone interact. energy: -0.042
local terms energy: -67.064089
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -6.376
tors. eta vs tors. theta energy: -15.391
Dist. restrs. and SS energy: 8.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -201.965107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.965107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.980341 (E_RNA)
where:
Base-Base interactions energy: -141.693
where: short stacking energy: -57.224
Base-Backbone interact. energy: -0.007
local terms energy: -60.280102
where:
bonds (distance) C4'-P energy: -7.094
bonds (distance) P-C4' energy: -10.843
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -15.901
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -176.801495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.801495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.361411 (E_RNA)
where:
Base-Base interactions energy: -128.651
where: short stacking energy: -51.550
Base-Backbone interact. energy: -0.000
local terms energy: -54.710206
where:
bonds (distance) C4'-P energy: -7.180
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -11.005
Dist. restrs. and SS energy: 6.560 (S_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: 247
Temperature: 1.350000
Total energy: -191.680123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.680123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.720189 (E_RNA)
where:
Base-Base interactions energy: -142.313
where: short stacking energy: -54.979
Base-Backbone interact. energy: -0.118
local terms energy: -49.289388
where:
bonds (distance) C4'-P energy: -10.194
bonds (distance) P-C4' energy: -13.142
flat angles C4'-P-C4' energy: -7.611
flat angles P-C4'-P energy: -3.791
tors. eta vs tors. theta energy: -14.551
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -220.506545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.506545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.517779 (E_RNA)
where:
Base-Base interactions energy: -150.441
where: short stacking energy: -62.825
Base-Backbone interact. energy: -0.001
local terms energy: -70.075882
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -18.225
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -233.246564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.246564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.246564 (E_RNA)
where:
Base-Base interactions energy: -174.258
where: short stacking energy: -75.516
Base-Backbone interact. energy: -0.223
local terms energy: -58.765979
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -2.244
tors. eta vs tors. theta energy: -16.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -215.108438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.108438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.196765 (E_RNA)
where:
Base-Base interactions energy: -159.088
where: short stacking energy: -65.110
Base-Backbone interact. energy: -0.002
local terms energy: -56.106960
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -6.598
flat angles C4'-P-C4' energy: -15.924
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -12.671
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: 10
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -209.655898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.655898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.657425 (E_RNA)
where:
Base-Base interactions energy: -151.933
where: short stacking energy: -61.913
Base-Backbone interact. energy: -0.003
local terms energy: -57.721755
where:
bonds (distance) C4'-P energy: -8.737
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -10.182
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -14.529
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: 7
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -209.717904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.717904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.909797 (E_RNA)
where:
Base-Base interactions energy: -146.989
where: short stacking energy: -59.291
Base-Backbone interact. energy: -0.085
local terms energy: -62.835961
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -6.300
tors. eta vs tors. theta energy: -16.244
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: 6, replica: 9
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -205.686728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.686728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.724611 (E_RNA)
where:
Base-Base interactions energy: -146.270
where: short stacking energy: -59.093
Base-Backbone interact. energy: -0.620
local terms energy: -58.834739
where:
bonds (distance) C4'-P energy: -9.858
bonds (distance) P-C4' energy: -10.957
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -15.660
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -199.237875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.237875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.375607 (E_RNA)
where:
Base-Base interactions energy: -137.731
where: short stacking energy: -55.599
Base-Backbone interact. energy: 0.068
local terms energy: -61.713392
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -12.057
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -12.381
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: 5
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -188.274823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.274823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.252243 (E_RNA)
where:
Base-Base interactions energy: -135.256
where: short stacking energy: -49.140
Base-Backbone interact. energy: 0.979
local terms energy: -60.975360
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -10.597
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -15.198
Dist. restrs. and SS energy: 6.977 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -199.058007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.058007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.144088 (E_RNA)
where:
Base-Base interactions energy: -145.929
where: short stacking energy: -64.867
Base-Backbone interact. energy: -0.244
local terms energy: -52.970494
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -6.836
flat angles C4'-P-C4' energy: -11.084
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -15.991
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -168.297620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.297620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.432966 (E_RNA)
where:
Base-Base interactions energy: -120.613
where: short stacking energy: -47.987
Base-Backbone interact. energy: -0.109
local terms energy: -53.711212
where:
bonds (distance) C4'-P energy: -13.890
bonds (distance) P-C4' energy: -13.094
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -6.142
tors. eta vs tors. theta energy: -8.444
Dist. restrs. and SS energy: 6.135 (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: 8
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -224.071230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.071230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.087184 (E_RNA)
where:
Base-Base interactions energy: -164.715
where: short stacking energy: -64.837
Base-Backbone interact. energy: -0.010
local terms energy: -59.362723
where:
bonds (distance) C4'-P energy: -9.491
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -7.289
tors. eta vs tors. theta energy: -16.480
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -215.881507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.881507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.935385 (E_RNA)
where:
Base-Base interactions energy: -153.284
where: short stacking energy: -63.232
Base-Backbone interact. energy: -0.002
local terms energy: -62.649882
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -11.550
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -10.242
tors. eta vs tors. theta energy: -15.359
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -225.868418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.868418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.877800 (E_RNA)
where:
Base-Base interactions energy: -161.499
where: short stacking energy: -62.316
Base-Backbone interact. energy: -0.242
local terms energy: -64.137261
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -12.797
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -8.066
tors. eta vs tors. theta energy: -16.254
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -209.497304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.497304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.713249 (E_RNA)
where:
Base-Base interactions energy: -142.795
where: short stacking energy: -56.451
Base-Backbone interact. energy: -0.160
local terms energy: -66.758612
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -13.236
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: 7
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -214.328414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.328414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.530432 (E_RNA)
where:
Base-Base interactions energy: -154.289
where: short stacking energy: -69.090
Base-Backbone interact. energy: -0.047
local terms energy: -60.194547
where:
bonds (distance) C4'-P energy: -8.447
bonds (distance) P-C4' energy: -9.278
flat angles C4'-P-C4' energy: -15.307
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -19.480
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: 6, replica: 3
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -215.549827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.549827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.671787 (E_RNA)
where:
Base-Base interactions energy: -147.364
where: short stacking energy: -59.988
Base-Backbone interact. energy: -0.002
local terms energy: -68.305355
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -13.360
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -17.846
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: 9
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -211.146525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.146525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.158054 (E_RNA)
where:
Base-Base interactions energy: -155.561
where: short stacking energy: -63.740
Base-Backbone interact. energy: -0.041
local terms energy: -55.556261
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -7.804
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -4.940
tors. eta vs tors. theta energy: -15.459
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -198.132153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.132153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.141216 (E_RNA)
where:
Base-Base interactions energy: -144.353
where: short stacking energy: -59.934
Base-Backbone interact. energy: -0.001
local terms energy: -53.786972
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -7.073
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -4.347
tors. eta vs tors. theta energy: -17.161
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -179.753865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.753865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.208588 (E_RNA)
where:
Base-Base interactions energy: -127.029
where: short stacking energy: -52.310
Base-Backbone interact. energy: -0.786
local terms energy: -59.393252
where:
bonds (distance) C4'-P energy: -8.390
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -11.589
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -14.619
Dist. restrs. and SS energy: 7.455 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -175.863297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.863297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.044511 (E_RNA)
where:
Base-Base interactions energy: -126.389
where: short stacking energy: -53.264
Base-Backbone interact. energy: -0.760
local terms energy: -55.895610
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -10.115
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -11.007
Dist. restrs. and SS energy: 7.181 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -225.157151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.157151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.174404 (E_RNA)
where:
Base-Base interactions energy: -158.160
where: short stacking energy: -66.445
Base-Backbone interact. energy: 0.029
local terms energy: -67.043108
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -12.696
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -15.951
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: 8
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -218.775775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.775775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.825726 (E_RNA)
where:
Base-Base interactions energy: -151.683
where: short stacking energy: -66.585
Base-Backbone interact. energy: 1.308
local terms energy: -68.450243
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -11.348
tors. eta vs tors. theta energy: -16.119
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -215.097027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.097027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.169905 (E_RNA)
where:
Base-Base interactions energy: -149.606
where: short stacking energy: -62.558
Base-Backbone interact. energy: -0.082
local terms energy: -65.481144
where:
bonds (distance) C4'-P energy: -10.604
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -11.630
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -16.730
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -227.766322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.766322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.875388 (E_RNA)
where:
Base-Base interactions energy: -167.860
where: short stacking energy: -64.422
Base-Backbone interact. energy: -0.008
local terms energy: -60.006888
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -5.786
tors. eta vs tors. theta energy: -12.276
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -213.971024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.971024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.013551 (E_RNA)
where:
Base-Base interactions energy: -144.045
where: short stacking energy: -62.892
Base-Backbone interact. energy: -0.535
local terms energy: -69.433218
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -17.566
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: 250
Temperature: 1.150000
Total energy: -211.610902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.610902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.019564 (E_RNA)
where:
Base-Base interactions energy: -149.511
where: short stacking energy: -60.434
Base-Backbone interact. energy: -0.209
local terms energy: -62.299549
where:
bonds (distance) C4'-P energy: -10.221
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -14.480
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: 7, replica: 2
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -197.747452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.747452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.866740 (E_RNA)
where:
Base-Base interactions energy: -140.839
where: short stacking energy: -57.887
Base-Backbone interact. energy: -0.018
local terms energy: -57.009662
where:
bonds (distance) C4'-P energy: -6.253
bonds (distance) P-C4' energy: -11.889
flat angles C4'-P-C4' energy: -12.689
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -15.991
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: 9
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -199.495279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.495279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.780747 (E_RNA)
where:
Base-Base interactions energy: -136.401
where: short stacking energy: -55.976
Base-Backbone interact. energy: -0.382
local terms energy: -62.998011
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -13.639
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: 4
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -188.208364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.208364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.614596 (E_RNA)
where:
Base-Base interactions energy: -141.558
where: short stacking energy: -59.598
Base-Backbone interact. energy: -0.206
local terms energy: -53.851473
where:
bonds (distance) C4'-P energy: -9.196
bonds (distance) P-C4' energy: -11.229
flat angles C4'-P-C4' energy: -12.417
flat angles P-C4'-P energy: -6.319
tors. eta vs tors. theta energy: -14.691
Dist. restrs. and SS energy: 7.406 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -179.365651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.365651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.608102 (E_RNA)
where:
Base-Base interactions energy: -133.020
where: short stacking energy: -54.950
Base-Backbone interact. energy: -0.024
local terms energy: -53.564640
where:
bonds (distance) C4'-P energy: -9.524
bonds (distance) P-C4' energy: -9.089
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -6.626
tors. eta vs tors. theta energy: -13.872
Dist. restrs. and SS energy: 7.242 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -217.807708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.807708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.807708 (E_RNA)
where:
Base-Base interactions energy: -157.061
where: short stacking energy: -64.164
Base-Backbone interact. energy: -0.149
local terms energy: -60.598011
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -11.390
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: -13.351
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: 2, replica: 8
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -225.189654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.189654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.196726 (E_RNA)
where:
Base-Base interactions energy: -157.994
where: short stacking energy: -63.545
Base-Backbone interact. energy: -0.000
local terms energy: -67.202539
where:
bonds (distance) C4'-P energy: -12.426
bonds (distance) P-C4' energy: -12.683
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -10.617
tors. eta vs tors. theta energy: -15.560
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -211.937771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.937771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.996309 (E_RNA)
where:
Base-Base interactions energy: -146.196
where: short stacking energy: -61.915
Base-Backbone interact. energy: 0.301
local terms energy: -66.101090
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -15.630
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -209.581000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.581000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.685606 (E_RNA)
where:
Base-Base interactions energy: -147.980
where: short stacking energy: -56.564
Base-Backbone interact. energy: -0.956
local terms energy: -60.750066
where:
bonds (distance) C4'-P energy: -10.856
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: -12.947
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -218.979909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.979909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.016625 (E_RNA)
where:
Base-Base interactions energy: -160.286
where: short stacking energy: -61.921
Base-Backbone interact. energy: -0.134
local terms energy: -58.596415
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -11.526
flat angles P-C4'-P energy: -5.782
tors. eta vs tors. theta energy: -13.826
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -205.769567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.769567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.895379 (E_RNA)
where:
Base-Base interactions energy: -141.095
where: short stacking energy: -60.061
Base-Backbone interact. energy: -0.248
local terms energy: -64.552612
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -14.510
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -15.337
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: 3
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -206.443590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.443590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.620741 (E_RNA)
where:
Base-Base interactions energy: -144.618
where: short stacking energy: -57.103
Base-Backbone interact. energy: -0.045
local terms energy: -61.957272
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -14.423
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -179.180637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.180637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.113762 (E_RNA)
where:
Base-Base interactions energy: -133.656
where: short stacking energy: -61.616
Base-Backbone interact. energy: -0.009
local terms energy: -52.448137
where:
bonds (distance) C4'-P energy: -7.942
bonds (distance) P-C4' energy: -8.143
flat angles C4'-P-C4' energy: -10.064
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -17.450
Dist. restrs. and SS energy: 6.933 (S_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: 251
Temperature: 1.300000
Total energy: -191.758407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.758407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.971167 (E_RNA)
where:
Base-Base interactions energy: -133.346
where: short stacking energy: -50.855
Base-Backbone interact. energy: -0.114
local terms energy: -58.511492
where:
bonds (distance) C4'-P energy: -9.155
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -13.429
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: 5
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -174.218222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.218222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.875487 (E_RNA)
where:
Base-Base interactions energy: -125.633
where: short stacking energy: -56.951
Base-Backbone interact. energy: -1.343
local terms energy: -55.899090
where:
bonds (distance) C4'-P energy: -12.015
bonds (distance) P-C4' energy: -10.268
flat angles C4'-P-C4' energy: -11.151
flat angles P-C4'-P energy: -6.192
tors. eta vs tors. theta energy: -16.273
Dist. restrs. and SS energy: 8.657 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -231.899926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.899926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.899926 (E_RNA)
where:
Base-Base interactions energy: -172.628
where: short stacking energy: -68.677
Base-Backbone interact. energy: -0.021
local terms energy: -59.251192
where:
bonds (distance) C4'-P energy: -10.071
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -4.910
tors. eta vs tors. theta energy: -18.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -224.313313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.313313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.313313 (E_RNA)
where:
Base-Base interactions energy: -160.756
where: short stacking energy: -65.912
Base-Backbone interact. energy: -0.542
local terms energy: -63.015622
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -13.631
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -206.693110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.693110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.707146 (E_RNA)
where:
Base-Base interactions energy: -144.177
where: short stacking energy: -58.384
Base-Backbone interact. energy: 0.319
local terms energy: -62.849659
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -12.079
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -13.821
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -211.418620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.418620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.464622 (E_RNA)
where:
Base-Base interactions energy: -149.527
where: short stacking energy: -59.403
Base-Backbone interact. energy: 0.563
local terms energy: -62.500900
where:
bonds (distance) C4'-P energy: -9.765
bonds (distance) P-C4' energy: -12.107
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -16.938
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: 252
Temperature: 1.100000
Total energy: -209.107939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.107939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.123108 (E_RNA)
where:
Base-Base interactions energy: -145.576
where: short stacking energy: -60.919
Base-Backbone interact. energy: -0.004
local terms energy: -63.542885
where:
bonds (distance) C4'-P energy: -7.985
bonds (distance) P-C4' energy: -10.420
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: -16.904
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -207.557116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.557116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.596073 (E_RNA)
where:
Base-Base interactions energy: -150.545
where: short stacking energy: -62.941
Base-Backbone interact. energy: -0.000
local terms energy: -57.050522
where:
bonds (distance) C4'-P energy: -7.954
bonds (distance) P-C4' energy: -8.942
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -18.720
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -191.321658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.321658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.620476 (E_RNA)
where:
Base-Base interactions energy: -137.498
where: short stacking energy: -59.856
Base-Backbone interact. energy: -0.006
local terms energy: -61.116944
where:
bonds (distance) C4'-P energy: -9.705
bonds (distance) P-C4' energy: -10.632
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -17.289
Dist. restrs. and SS energy: 7.299 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -194.164484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.164484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.269334 (E_RNA)
where:
Base-Base interactions energy: -136.048
where: short stacking energy: -55.034
Base-Backbone interact. energy: -0.148
local terms energy: -58.073215
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -7.200
tors. eta vs tors. theta energy: -11.799
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -175.717115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.717115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.217060 (E_RNA)
where:
Base-Base interactions energy: -124.470
where: short stacking energy: -47.850
Base-Backbone interact. energy: -0.174
local terms energy: -58.573294
where:
bonds (distance) C4'-P energy: -11.814
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -13.165
Dist. restrs. and SS energy: 7.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -185.028752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.028752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.108467 (E_RNA)
where:
Base-Base interactions energy: -132.865
where: short stacking energy: -47.841
Base-Backbone interact. energy: -0.261
local terms energy: -51.982263
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -5.819
tors. eta vs tors. theta energy: -10.365
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -233.592425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.592425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.633793 (E_RNA)
where:
Base-Base interactions energy: -171.776
where: short stacking energy: -68.420
Base-Backbone interact. energy: -0.002
local terms energy: -61.855593
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -11.244
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -13.764
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: 8
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -212.335058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.335058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.480858 (E_RNA)
where:
Base-Base interactions energy: -145.017
where: short stacking energy: -60.131
Base-Backbone interact. energy: 0.705
local terms energy: -68.169439
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -16.872
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -214.795768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.795768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.821997 (E_RNA)
where:
Base-Base interactions energy: -144.407
where: short stacking energy: -59.432
Base-Backbone interact. energy: -0.042
local terms energy: -70.372983
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -13.639
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -17.086
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -211.957994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.957994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.109229 (E_RNA)
where:
Base-Base interactions energy: -145.666
where: short stacking energy: -63.015
Base-Backbone interact. energy: -0.241
local terms energy: -66.201556
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -7.223
tors. eta vs tors. theta energy: -18.948
Dist. restrs. and SS energy: 0.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -209.470016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.470016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.567545 (E_RNA)
where:
Base-Base interactions energy: -145.153
where: short stacking energy: -59.310
Base-Backbone interact. energy: 0.413
local terms energy: -64.826809
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -11.345
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -17.638
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: 4
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -199.329777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.329777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.587478 (E_RNA)
where:
Base-Base interactions energy: -141.550
where: short stacking energy: -62.672
Base-Backbone interact. energy: -0.129
local terms energy: -65.909027
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -10.173
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -17.665
Dist. restrs. and SS energy: 8.258 (S_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: 253
Temperature: 1.200000
Total energy: -204.538559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.538559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.604121 (E_RNA)
where:
Base-Base interactions energy: -141.768
where: short stacking energy: -55.130
Base-Backbone interact. energy: -0.036
local terms energy: -62.799978
where:
bonds (distance) C4'-P energy: -9.847
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -14.813
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -182.094075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.094075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.848275 (E_RNA)
where:
Base-Base interactions energy: -129.053
where: short stacking energy: -57.702
Base-Backbone interact. energy: 0.511
local terms energy: -61.305362
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -11.124
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -14.299
Dist. restrs. and SS energy: 7.754 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -195.610259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.610259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.742563 (E_RNA)
where:
Base-Base interactions energy: -144.629
where: short stacking energy: -60.407
Base-Backbone interact. energy: 2.141
local terms energy: -53.255328
where:
bonds (distance) C4'-P energy: -9.912
bonds (distance) P-C4' energy: -11.509
flat angles C4'-P-C4' energy: -10.367
flat angles P-C4'-P energy: -6.813
tors. eta vs tors. theta energy: -14.655
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: 9
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -193.269798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.269798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.285837 (E_RNA)
where:
Base-Base interactions energy: -138.048
where: short stacking energy: -53.060
Base-Backbone interact. energy: -0.453
local terms energy: -54.784672
where:
bonds (distance) C4'-P energy: -8.411
bonds (distance) P-C4' energy: -11.875
flat angles C4'-P-C4' energy: -11.980
flat angles P-C4'-P energy: -5.922
tors. eta vs tors. theta energy: -16.597
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: 254
Temperature: 0.900000
Total energy: -220.717923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.717923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.757506 (E_RNA)
where:
Base-Base interactions energy: -149.628
where: short stacking energy: -62.948
Base-Backbone interact. energy: -0.000
local terms energy: -71.129260
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -9.095
tors. eta vs tors. theta energy: -18.557
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -232.932919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.932919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.937367 (E_RNA)
where:
Base-Base interactions energy: -172.887
where: short stacking energy: -65.066
Base-Backbone interact. energy: -0.018
local terms energy: -60.032185
where:
bonds (distance) C4'-P energy: -8.941
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -14.974
flat angles P-C4'-P energy: -5.742
tors. eta vs tors. theta energy: -16.406
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -215.634308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.634308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.724453 (E_RNA)
where:
Base-Base interactions energy: -156.977
where: short stacking energy: -63.400
Base-Backbone interact. energy: -0.083
local terms energy: -58.665100
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -9.992
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -5.859
tors. eta vs tors. theta energy: -17.209
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -213.763357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.763357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.901398 (E_RNA)
where:
Base-Base interactions energy: -154.720
where: short stacking energy: -66.388
Base-Backbone interact. energy: -0.577
local terms energy: -58.603500
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -11.968
flat angles P-C4'-P energy: -5.213
tors. eta vs tors. theta energy: -14.062
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: 4
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -202.010799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.010799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.106054 (E_RNA)
where:
Base-Base interactions energy: -146.755
where: short stacking energy: -63.420
Base-Backbone interact. energy: -0.007
local terms energy: -62.344183
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -12.099
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -8.190
tors. eta vs tors. theta energy: -17.539
Dist. restrs. and SS energy: 7.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -216.535996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.535996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.650915 (E_RNA)
where:
Base-Base interactions energy: -158.245
where: short stacking energy: -57.914
Base-Backbone interact. energy: -0.311
local terms energy: -58.094070
where:
bonds (distance) C4'-P energy: -10.240
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -3.752
tors. eta vs tors. theta energy: -20.500
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: 5
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -178.785303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.785303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.228409 (E_RNA)
where:
Base-Base interactions energy: -128.348
where: short stacking energy: -51.965
Base-Backbone interact. energy: 0.197
local terms energy: -58.077118
where:
bonds (distance) C4'-P energy: -10.902
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -13.440
Dist. restrs. and SS energy: 7.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -199.269692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.269692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.307213 (E_RNA)
where:
Base-Base interactions energy: -135.887
where: short stacking energy: -54.498
Base-Backbone interact. energy: -0.019
local terms energy: -63.401191
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -15.580
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: 9
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -194.381386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.381386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.470852 (E_RNA)
where:
Base-Base interactions energy: -137.990
where: short stacking energy: -56.452
Base-Backbone interact. energy: -0.005
local terms energy: -56.475607
where:
bonds (distance) C4'-P energy: -8.468
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -11.399
flat angles P-C4'-P energy: -9.331
tors. eta vs tors. theta energy: -11.758
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -190.553875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.553875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.792517 (E_RNA)
where:
Base-Base interactions energy: -128.360
where: short stacking energy: -44.602
Base-Backbone interact. energy: -0.016
local terms energy: -62.416522
where:
bonds (distance) C4'-P energy: -14.988
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -10.965
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -14.218
Dist. restrs. and SS energy: 0.239 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -216.776616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.776616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.813873 (E_RNA)
where:
Base-Base interactions energy: -149.868
where: short stacking energy: -56.824
Base-Backbone interact. energy: -0.032
local terms energy: -66.913246
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -11.937
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -8.516
tors. eta vs tors. theta energy: -17.281
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -231.082738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.082738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.170647 (E_RNA)
where:
Base-Base interactions energy: -168.718
where: short stacking energy: -66.498
Base-Backbone interact. energy: -0.042
local terms energy: -62.410516
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -12.085
flat angles P-C4'-P energy: -5.150
tors. eta vs tors. theta energy: -16.751
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -215.293993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.293993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.415105 (E_RNA)
where:
Base-Base interactions energy: -145.313
where: short stacking energy: -61.286
Base-Backbone interact. energy: -0.000
local terms energy: -70.102109
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -12.331
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -18.243
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: 4
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -197.124767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.124767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.569098 (E_RNA)
where:
Base-Base interactions energy: -138.116
where: short stacking energy: -61.107
Base-Backbone interact. energy: -0.009
local terms energy: -65.444122
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -12.811
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -15.512
Dist. restrs. and SS energy: 6.444 (S_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: 255
Temperature: 1.100000
Total energy: -206.247304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.247304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.270241 (E_RNA)
where:
Base-Base interactions energy: -146.421
where: short stacking energy: -63.954
Base-Backbone interact. energy: -0.014
local terms energy: -59.835224
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -10.876
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -16.247
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: 6
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -203.247631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.247631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.294228 (E_RNA)
where:
Base-Base interactions energy: -144.264
where: short stacking energy: -60.011
Base-Backbone interact. energy: -1.417
local terms energy: -57.613286
where:
bonds (distance) C4'-P energy: -9.516
bonds (distance) P-C4' energy: -11.857
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -8.840
tors. eta vs tors. theta energy: -13.388
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -184.077787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.077787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.015451 (E_RNA)
where:
Base-Base interactions energy: -126.363
where: short stacking energy: -53.498
Base-Backbone interact. energy: -0.839
local terms energy: -64.813461
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -16.890
Dist. restrs. and SS energy: 7.938 (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: 9
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -194.628433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.628433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.933278 (E_RNA)
where:
Base-Base interactions energy: -137.251
where: short stacking energy: -53.101
Base-Backbone interact. energy: -0.235
local terms energy: -57.447883
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -5.885
tors. eta vs tors. theta energy: -14.109
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: 9, replica: 2
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -205.889087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.889087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.889087 (E_RNA)
where:
Base-Base interactions energy: -145.919
where: short stacking energy: -61.460
Base-Backbone interact. energy: -0.001
local terms energy: -59.968835
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -10.792
flat angles C4'-P-C4' energy: -10.556
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -16.515
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -190.089824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.089824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.226085 (E_RNA)
where:
Base-Base interactions energy: -133.585
where: short stacking energy: -52.939
Base-Backbone interact. energy: -0.110
local terms energy: -56.531330
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -12.302
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -9.472
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -235.448143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.448143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.485505 (E_RNA)
where:
Base-Base interactions energy: -169.481
where: short stacking energy: -70.362
Base-Backbone interact. energy: -0.635
local terms energy: -65.369298
where:
bonds (distance) C4'-P energy: -13.319
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -7.201
tors. eta vs tors. theta energy: -17.187
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -223.392395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.392395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.392395 (E_RNA)
where:
Base-Base interactions energy: -162.228
where: short stacking energy: -62.763
Base-Backbone interact. energy: -0.136
local terms energy: -61.028462
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -10.464
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -6.160
tors. eta vs tors. theta energy: -17.791
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -213.884580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.884580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.907296 (E_RNA)
where:
Base-Base interactions energy: -152.840
where: short stacking energy: -64.576
Base-Backbone interact. energy: 0.137
local terms energy: -61.204687
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -8.174
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -17.444
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: 4
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -203.439498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.439498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.737241 (E_RNA)
where:
Base-Base interactions energy: -149.134
where: short stacking energy: -69.354
Base-Backbone interact. energy: -0.489
local terms energy: -62.114908
where:
bonds (distance) C4'-P energy: -10.352
bonds (distance) P-C4' energy: -13.317
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -7.232
tors. eta vs tors. theta energy: -16.937
Dist. restrs. and SS energy: 8.298 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -202.540891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.540891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.540891 (E_RNA)
where:
Base-Base interactions energy: -141.829
where: short stacking energy: -57.549
Base-Backbone interact. energy: -0.103
local terms energy: -60.609143
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -8.691
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -11.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -204.149607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.149607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.228289 (E_RNA)
where:
Base-Base interactions energy: -142.672
where: short stacking energy: -51.795
Base-Backbone interact. energy: -0.216
local terms energy: -61.339982
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -10.647
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -202.111478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.111478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.178539 (E_RNA)
where:
Base-Base interactions energy: -144.318
where: short stacking energy: -59.038
Base-Backbone interact. energy: -0.072
local terms energy: -57.788299
where:
bonds (distance) C4'-P energy: -9.378
bonds (distance) P-C4' energy: -9.925
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -16.029
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: 5
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -187.457865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.457865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.556317 (E_RNA)
where:
Base-Base interactions energy: -137.051
where: short stacking energy: -58.533
Base-Backbone interact. energy: -0.630
local terms energy: -57.874616
where:
bonds (distance) C4'-P energy: -10.533
bonds (distance) P-C4' energy: -10.711
flat angles C4'-P-C4' energy: -11.959
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -14.485
Dist. restrs. and SS energy: 8.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -190.824787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.824787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.072333 (E_RNA)
where:
Base-Base interactions energy: -133.515
where: short stacking energy: -57.136
Base-Backbone interact. energy: 0.457
local terms energy: -58.014894
where:
bonds (distance) C4'-P energy: -12.006
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -10.720
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -15.799
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: 10, replica: 2
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -193.890740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.890740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.902255 (E_RNA)
where:
Base-Base interactions energy: -147.175
where: short stacking energy: -49.792
Base-Backbone interact. energy: -0.131
local terms energy: -46.595779
where:
bonds (distance) C4'-P energy: -8.278
bonds (distance) P-C4' energy: -4.178
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -7.384
tors. eta vs tors. theta energy: -14.780
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: 1
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -235.540866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.540866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.625772 (E_RNA)
where:
Base-Base interactions energy: -175.538
where: short stacking energy: -68.217
Base-Backbone interact. energy: -0.124
local terms energy: -59.964102
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -4.270
tors. eta vs tors. theta energy: -18.058
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: 257
Temperature: 0.950000
Total energy: -225.139089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.139089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.274930 (E_RNA)
where:
Base-Base interactions energy: -164.761
where: short stacking energy: -65.058
Base-Backbone interact. energy: -0.065
local terms energy: -60.449435
where:
bonds (distance) C4'-P energy: -9.552
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: -17.571
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -212.138519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.138519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.201194 (E_RNA)
where:
Base-Base interactions energy: -144.800
where: short stacking energy: -60.795
Base-Backbone interact. energy: -0.243
local terms energy: -67.158091
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -11.559
tors. eta vs tors. theta energy: -16.907
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: 257
Temperature: 1.050000
Total energy: -213.895133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.895133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.086937 (E_RNA)
where:
Base-Base interactions energy: -141.119
where: short stacking energy: -58.107
Base-Backbone interact. energy: -0.000
local terms energy: -72.967075
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -17.105
Dist. restrs. and SS energy: 0.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -201.381057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.381057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.785761 (E_RNA)
where:
Base-Base interactions energy: -142.846
where: short stacking energy: -60.498
Base-Backbone interact. energy: -1.620
local terms energy: -65.319116
where:
bonds (distance) C4'-P energy: -12.773
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -15.510
Dist. restrs. and SS energy: 8.405 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -209.848812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.848812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.870299 (E_RNA)
where:
Base-Base interactions energy: -150.600
where: short stacking energy: -57.584
Base-Backbone interact. energy: -0.005
local terms energy: -59.265096
where:
bonds (distance) C4'-P energy: -9.623
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -5.175
tors. eta vs tors. theta energy: -14.101
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -205.575769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.575769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.587027 (E_RNA)
where:
Base-Base interactions energy: -145.508
where: short stacking energy: -58.406
Base-Backbone interact. energy: -0.130
local terms energy: -59.948318
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -5.098
tors. eta vs tors. theta energy: -11.800
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: 8, replica: 3
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -199.140618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.140618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.140618 (E_RNA)
where:
Base-Base interactions energy: -136.722
where: short stacking energy: -54.927
Base-Backbone interact. energy: -0.138
local terms energy: -62.280771
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -10.646
flat angles C4'-P-C4' energy: -12.911
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -15.612
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -178.291424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.291424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.551578 (E_RNA)
where:
Base-Base interactions energy: -136.469
where: short stacking energy: -56.929
Base-Backbone interact. energy: -0.364
local terms energy: -49.718158
where:
bonds (distance) C4'-P energy: -11.232
bonds (distance) P-C4' energy: -9.827
flat angles C4'-P-C4' energy: -8.583
flat angles P-C4'-P energy: -2.917
tors. eta vs tors. theta energy: -17.160
Dist. restrs. and SS energy: 8.260 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -187.651914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.651914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.852121 (E_RNA)
where:
Base-Base interactions energy: -130.433
where: short stacking energy: -52.756
Base-Backbone interact. energy: 1.427
local terms energy: -58.846133
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -7.453
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: -13.525
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: 7
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -229.547341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.547341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.547341 (E_RNA)
where:
Base-Base interactions energy: -173.008
where: short stacking energy: -71.172
Base-Backbone interact. energy: -0.049
local terms energy: -56.490451
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -9.259
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -2.982
tors. eta vs tors. theta energy: -16.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -231.694112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.694112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.694112 (E_RNA)
where:
Base-Base interactions energy: -174.938
where: short stacking energy: -73.092
Base-Backbone interact. energy: -0.376
local terms energy: -56.379727
where:
bonds (distance) C4'-P energy: -12.178
bonds (distance) P-C4' energy: -11.552
flat angles C4'-P-C4' energy: -10.933
flat angles P-C4'-P energy: -5.064
tors. eta vs tors. theta energy: -16.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -217.734900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.734900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.862747 (E_RNA)
where:
Base-Base interactions energy: -153.560
where: short stacking energy: -61.433
Base-Backbone interact. energy: -0.043
local terms energy: -64.260402
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -16.624
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -214.195170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.195170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.295731 (E_RNA)
where:
Base-Base interactions energy: -155.346
where: short stacking energy: -62.345
Base-Backbone interact. energy: -0.010
local terms energy: -58.940360
where:
bonds (distance) C4'-P energy: -9.694
bonds (distance) P-C4' energy: -15.079
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -5.331
tors. eta vs tors. theta energy: -14.820
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: 9
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -211.587520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.587520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.636173 (E_RNA)
where:
Base-Base interactions energy: -151.929
where: short stacking energy: -62.730
Base-Backbone interact. energy: -0.083
local terms energy: -59.624312
where:
bonds (distance) C4'-P energy: -11.758
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -6.621
tors. eta vs tors. theta energy: -14.223
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: 4
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -182.468171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.468171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.708519 (E_RNA)
where:
Base-Base interactions energy: -138.726
where: short stacking energy: -54.652
Base-Backbone interact. energy: 1.438
local terms energy: -50.420428
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -9.901
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -8.930
Dist. restrs. and SS energy: 5.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -205.205125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.205125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.222392 (E_RNA)
where:
Base-Base interactions energy: -148.932
where: short stacking energy: -52.167
Base-Backbone interact. energy: -0.165
local terms energy: -56.125463
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -11.152
flat angles C4'-P-C4' energy: -9.327
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -14.083
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: 10
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -199.933131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.933131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.130860 (E_RNA)
where:
Base-Base interactions energy: -154.044
where: short stacking energy: -64.094
Base-Backbone interact. energy: -0.211
local terms energy: -45.876431
where:
bonds (distance) C4'-P energy: -11.046
bonds (distance) P-C4' energy: -9.910
flat angles C4'-P-C4' energy: -8.825
flat angles P-C4'-P energy: -1.523
tors. eta vs tors. theta energy: -14.573
Dist. restrs. and SS energy: 0.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -195.434768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.434768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.720165 (E_RNA)
where:
Base-Base interactions energy: -134.060
where: short stacking energy: -59.086
Base-Backbone interact. energy: -0.005
local terms energy: -61.654962
where:
bonds (distance) C4'-P energy: -10.185
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -16.057
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: 10, replica: 5
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -174.413222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.413222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.348407 (E_RNA)
where:
Base-Base interactions energy: -127.121
where: short stacking energy: -49.749
Base-Backbone interact. energy: -0.022
local terms energy: -55.204793
where:
bonds (distance) C4'-P energy: -5.268
bonds (distance) P-C4' energy: -12.342
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -13.894
Dist. restrs. and SS energy: 7.935 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -232.670381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.670381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.684827 (E_RNA)
where:
Base-Base interactions energy: -169.296
where: short stacking energy: -69.210
Base-Backbone interact. energy: -0.041
local terms energy: -63.347752
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -4.137
tors. eta vs tors. theta energy: -17.644
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -233.018573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.018573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.018573 (E_RNA)
where:
Base-Base interactions energy: -173.252
where: short stacking energy: -67.320
Base-Backbone interact. energy: -0.002
local terms energy: -59.764956
where:
bonds (distance) C4'-P energy: -9.026
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -4.014
tors. eta vs tors. theta energy: -16.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -213.073703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.073703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.121305 (E_RNA)
where:
Base-Base interactions energy: -151.006
where: short stacking energy: -63.196
Base-Backbone interact. energy: 1.260
local terms energy: -63.375726
where:
bonds (distance) C4'-P energy: -11.622
bonds (distance) P-C4' energy: -10.901
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -18.201
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: 9
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -212.366088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.366088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.470943 (E_RNA)
where:
Base-Base interactions energy: -155.470
where: short stacking energy: -67.480
Base-Backbone interact. energy: -0.003
local terms energy: -56.997591
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -9.208
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -11.807
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -198.735630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.735630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.832424 (E_RNA)
where:
Base-Base interactions energy: -145.713
where: short stacking energy: -62.711
Base-Backbone interact. energy: -0.079
local terms energy: -53.040365
where:
bonds (distance) C4'-P energy: -6.727
bonds (distance) P-C4' energy: -11.161
flat angles C4'-P-C4' energy: -11.526
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -14.959
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: 259
Temperature: 1.150000
Total energy: -201.917955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.917955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.197865 (E_RNA)
where:
Base-Base interactions energy: -151.202
where: short stacking energy: -62.503
Base-Backbone interact. energy: -0.656
local terms energy: -50.339598
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -7.265
flat angles P-C4'-P energy: -5.453
tors. eta vs tors. theta energy: -13.434
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: 4
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -182.764691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.764691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.496404 (E_RNA)
where:
Base-Base interactions energy: -134.841
where: short stacking energy: -55.520
Base-Backbone interact. energy: -1.974
local terms energy: -53.681132
where:
bonds (distance) C4'-P energy: -9.478
bonds (distance) P-C4' energy: -11.898
flat angles C4'-P-C4' energy: -8.734
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -14.163
Dist. restrs. and SS energy: 7.732 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -207.581575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.581575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.608331 (E_RNA)
where:
Base-Base interactions energy: -143.450
where: short stacking energy: -51.311
Base-Backbone interact. energy: -0.515
local terms energy: -63.642957
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -15.363
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -198.662380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.662380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.694278 (E_RNA)
where:
Base-Base interactions energy: -140.037
where: short stacking energy: -50.460
Base-Backbone interact. energy: -0.036
local terms energy: -58.621464
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -9.764
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -13.564
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: 259
Temperature: 1.350000
Total energy: -175.449456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.449456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.194009 (E_RNA)
where:
Base-Base interactions energy: -118.315
where: short stacking energy: -53.412
Base-Backbone interact. energy: -1.484
local terms energy: -63.395888
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -10.668
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: -16.026
Dist. restrs. and SS energy: 7.745 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -234.678040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.678040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.782773 (E_RNA)
where:
Base-Base interactions energy: -171.360
where: short stacking energy: -69.289
Base-Backbone interact. energy: -0.598
local terms energy: -62.824566
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -4.368
tors. eta vs tors. theta energy: -16.832
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: 7
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -231.442916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.442916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.442916 (E_RNA)
where:
Base-Base interactions energy: -166.800
where: short stacking energy: -67.480
Base-Backbone interact. energy: -0.296
local terms energy: -64.347033
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -13.860
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -4.887
tors. eta vs tors. theta energy: -16.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -210.934797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.934797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.033594 (E_RNA)
where:
Base-Base interactions energy: -147.282
where: short stacking energy: -63.310
Base-Backbone interact. energy: -0.001
local terms energy: -63.750545
where:
bonds (distance) C4'-P energy: -10.137
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -17.568
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -214.360978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.360978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.521195 (E_RNA)
where:
Base-Base interactions energy: -156.668
where: short stacking energy: -62.228
Base-Backbone interact. energy: -0.147
local terms energy: -57.706871
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -12.685
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -3.054
tors. eta vs tors. theta energy: -16.253
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: 5, replica: 8
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -207.082045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.082045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.148472 (E_RNA)
where:
Base-Base interactions energy: -156.280
where: short stacking energy: -61.210
Base-Backbone interact. energy: -0.011
local terms energy: -50.857535
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -10.743
flat angles C4'-P-C4' energy: -10.283
flat angles P-C4'-P energy: -3.015
tors. eta vs tors. theta energy: -13.324
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -211.451379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.451379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.480036 (E_RNA)
where:
Base-Base interactions energy: -155.253
where: short stacking energy: -62.848
Base-Backbone interact. energy: -0.242
local terms energy: -55.984517
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -10.887
flat angles P-C4'-P energy: -4.059
tors. eta vs tors. theta energy: -15.119
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: 2
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -201.238699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.238699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.378931 (E_RNA)
where:
Base-Base interactions energy: -141.774
where: short stacking energy: -56.926
Base-Backbone interact. energy: -0.032
local terms energy: -59.573259
where:
bonds (distance) C4'-P energy: -10.959
bonds (distance) P-C4' energy: -11.367
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -15.230
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: 260
Temperature: 1.250000
Total energy: -187.612144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.612144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.332558 (E_RNA)
where:
Base-Base interactions energy: -136.106
where: short stacking energy: -58.659
Base-Backbone interact. energy: -0.288
local terms energy: -58.938999
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -9.210
flat angles C4'-P-C4' energy: -10.298
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -17.802
Dist. restrs. and SS energy: 7.720 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -173.462993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.462993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.110128 (E_RNA)
where:
Base-Base interactions energy: -129.248
where: short stacking energy: -51.971
Base-Backbone interact. energy: -0.102
local terms energy: -51.760733
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -8.186
flat angles P-C4'-P energy: -5.393
tors. eta vs tors. theta energy: -12.319
Dist. restrs. and SS energy: 7.647 (S_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: -192.699503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.699503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.699503 (E_RNA)
where:
Base-Base interactions energy: -137.178
where: short stacking energy: -53.999
Base-Backbone interact. energy: -0.024
local terms energy: -55.497706
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -11.295
flat angles P-C4'-P energy: -5.591
tors. eta vs tors. theta energy: -14.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -233.542901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.542901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.542901 (E_RNA)
where:
Base-Base interactions energy: -170.073
where: short stacking energy: -68.331
Base-Backbone interact. energy: -0.384
local terms energy: -63.086666
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -4.880
tors. eta vs tors. theta energy: -18.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -220.732135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.732135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.831747 (E_RNA)
where:
Base-Base interactions energy: -155.268
where: short stacking energy: -64.562
Base-Backbone interact. energy: 0.233
local terms energy: -65.796944
where:
bonds (distance) C4'-P energy: -14.669
bonds (distance) P-C4' energy: -10.930
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -14.208
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -214.248601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.248601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.268236 (E_RNA)
where:
Base-Base interactions energy: -145.694
where: short stacking energy: -61.352
Base-Backbone interact. energy: -0.001
local terms energy: -68.573026
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -10.495
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -19.158
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: 261
Temperature: 1.050000
Total energy: -214.023847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.023847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.023847 (E_RNA)
where:
Base-Base interactions energy: -149.501
where: short stacking energy: -60.511
Base-Backbone interact. energy: -0.042
local terms energy: -64.480602
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -16.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -204.176996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.176996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.346496 (E_RNA)
where:
Base-Base interactions energy: -144.727
where: short stacking energy: -59.168
Base-Backbone interact. energy: 0.780
local terms energy: -60.399800
where:
bonds (distance) C4'-P energy: -11.257
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -10.458
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -13.169
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -205.924552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.924552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.924552 (E_RNA)
where:
Base-Base interactions energy: -148.272
where: short stacking energy: -61.231
Base-Backbone interact. energy: -0.002
local terms energy: -57.650525
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -7.584
tors. eta vs tors. theta energy: -15.156
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -206.524431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.524431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.557323 (E_RNA)
where:
Base-Base interactions energy: -137.418
where: short stacking energy: -60.253
Base-Backbone interact. energy: -0.004
local terms energy: -69.135335
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -17.464
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: 4
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -178.367343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.367343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.210411 (E_RNA)
where:
Base-Base interactions energy: -128.818
where: short stacking energy: -52.059
Base-Backbone interact. energy: -0.001
local terms energy: -56.391846
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -10.104
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -11.812
Dist. restrs. and SS energy: 6.843 (S_DIST_RNA)
chem. 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: -177.870821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.870821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.936916 (E_RNA)
where:
Base-Base interactions energy: -118.505
where: short stacking energy: -50.714
Base-Backbone interact. energy: -0.077
local terms energy: -67.354708
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -14.001
Dist. restrs. and SS energy: 8.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -197.820472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.820472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.404746 (E_RNA)
where:
Base-Base interactions energy: -143.007
where: short stacking energy: -52.209
Base-Backbone interact. energy: 0.506
local terms energy: -55.904251
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -10.193
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -9.560
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: 1, replica: 1
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -235.001933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.001933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.071827 (E_RNA)
where:
Base-Base interactions energy: -169.826
where: short stacking energy: -68.188
Base-Backbone interact. energy: -0.005
local terms energy: -65.240398
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -15.428
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -4.899
tors. eta vs tors. theta energy: -16.410
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: 9
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -215.836540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.836540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.982653 (E_RNA)
where:
Base-Base interactions energy: -153.248
where: short stacking energy: -62.691
Base-Backbone interact. energy: -0.001
local terms energy: -62.733844
where:
bonds (distance) C4'-P energy: -10.021
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -13.975
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -218.739055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.739055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.804758 (E_RNA)
where:
Base-Base interactions energy: -148.679
where: short stacking energy: -58.833
Base-Backbone interact. energy: -0.067
local terms energy: -70.058983
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -16.987
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -223.647312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.647312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.647312 (E_RNA)
where:
Base-Base interactions energy: -154.529
where: short stacking energy: -57.776
Base-Backbone interact. energy: -0.041
local terms energy: -69.077133
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: -16.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -211.212206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.212206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.242791 (E_RNA)
where:
Base-Base interactions energy: -147.354
where: short stacking energy: -59.656
Base-Backbone interact. energy: -0.042
local terms energy: -63.846738
where:
bonds (distance) C4'-P energy: -12.248
bonds (distance) P-C4' energy: -13.320
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -14.458
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -206.640572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.640572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.734911 (E_RNA)
where:
Base-Base interactions energy: -157.084
where: short stacking energy: -60.930
Base-Backbone interact. energy: -0.015
local terms energy: -49.636421
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -10.704
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -2.808
tors. eta vs tors. theta energy: -12.622
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: 3
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -192.210692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.210692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.390029 (E_RNA)
where:
Base-Base interactions energy: -139.732
where: short stacking energy: -54.641
Base-Backbone interact. energy: -0.000
local terms energy: -52.658083
where:
bonds (distance) C4'-P energy: -5.631
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -11.568
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -13.346
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: 4
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -185.761206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.761206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.226289 (E_RNA)
where:
Base-Base interactions energy: -137.591
where: short stacking energy: -61.136
Base-Backbone interact. energy: -0.023
local terms energy: -55.612245
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -11.314
flat angles P-C4'-P energy: -3.152
tors. eta vs tors. theta energy: -14.096
Dist. restrs. and SS energy: 7.465 (S_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: 262
Temperature: 1.300000
Total energy: -192.610078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.610078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.628412 (E_RNA)
where:
Base-Base interactions energy: -135.313
where: short stacking energy: -52.234
Base-Backbone interact. energy: -0.009
local terms energy: -57.306352
where:
bonds (distance) C4'-P energy: -9.888
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -15.951
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -170.082582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.082582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.869464 (E_RNA)
where:
Base-Base interactions energy: -119.562
where: short stacking energy: -43.756
Base-Backbone interact. energy: -0.079
local terms energy: -57.228984
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -11.215
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -13.137
Dist. restrs. and SS energy: 6.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -232.743632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.743632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.764223 (E_RNA)
where:
Base-Base interactions energy: -173.084
where: short stacking energy: -67.092
Base-Backbone interact. energy: -0.129
local terms energy: -59.551569
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -11.083
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -5.825
tors. eta vs tors. theta energy: -16.933
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -219.369202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.369202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.452437 (E_RNA)
where:
Base-Base interactions energy: -155.432
where: short stacking energy: -57.126
Base-Backbone interact. energy: -2.135
local terms energy: -61.885592
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -12.035
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -15.452
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -208.523435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.523435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.554837 (E_RNA)
where:
Base-Base interactions energy: -150.999
where: short stacking energy: -66.043
Base-Backbone interact. energy: -0.169
local terms energy: -57.386552
where:
bonds (distance) C4'-P energy: -8.785
bonds (distance) P-C4' energy: -10.084
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -6.124
tors. eta vs tors. theta energy: -18.778
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -215.144184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.144184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.158482 (E_RNA)
where:
Base-Base interactions energy: -162.448
where: short stacking energy: -60.825
Base-Backbone interact. energy: -0.109
local terms energy: -52.601477
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -11.096
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -3.003
tors. eta vs tors. theta energy: -14.438
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -215.848365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.848365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.988308 (E_RNA)
where:
Base-Base interactions energy: -153.774
where: short stacking energy: -61.760
Base-Backbone interact. energy: -0.000
local terms energy: -62.214535
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -5.878
tors. eta vs tors. theta energy: -13.579
Dist. restrs. and SS energy: 0.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -205.968130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.968130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.972834 (E_RNA)
where:
Base-Base interactions energy: -142.341
where: short stacking energy: -56.489
Base-Backbone interact. energy: -0.015
local terms energy: -63.616611
where:
bonds (distance) C4'-P energy: -11.389
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -16.917
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: 3
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -196.814279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.814279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.010443 (E_RNA)
where:
Base-Base interactions energy: -145.833
where: short stacking energy: -51.845
Base-Backbone interact. energy: -0.109
local terms energy: -51.068783
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -12.196
flat angles C4'-P-C4' energy: -10.075
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: -8.028
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: 8, replica: 10
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -198.965160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.965160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.965160 (E_RNA)
where:
Base-Base interactions energy: -143.550
where: short stacking energy: -57.230
Base-Backbone interact. energy: -0.128
local terms energy: -55.287537
where:
bonds (distance) C4'-P energy: -8.306
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -10.869
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -15.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -178.625989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.625989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.350032 (E_RNA)
where:
Base-Base interactions energy: -128.553
where: short stacking energy: -51.578
Base-Backbone interact. energy: -0.004
local terms energy: -56.792230
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -12.648
flat angles P-C4'-P energy: -3.099
tors. eta vs tors. theta energy: -16.516
Dist. restrs. and SS energy: 6.724 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -185.044522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.044522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.862306 (E_RNA)
where:
Base-Base interactions energy: -148.111
where: short stacking energy: -65.970
Base-Backbone interact. energy: -0.086
local terms energy: -44.664684
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -6.216
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -1.638
tors. eta vs tors. theta energy: -14.159
Dist. restrs. and SS energy: 7.818 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -234.519795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.519795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.519795 (E_RNA)
where:
Base-Base interactions energy: -169.891
where: short stacking energy: -67.723
Base-Backbone interact. energy: -0.001
local terms energy: -64.627909
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -1.702
tors. eta vs tors. theta energy: -19.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -213.413172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.413172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.413172 (E_RNA)
where:
Base-Base interactions energy: -150.928
where: short stacking energy: -62.416
Base-Backbone interact. energy: -0.095
local terms energy: -62.391092
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -4.154
tors. eta vs tors. theta energy: -15.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -217.176567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.176567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.176567 (E_RNA)
where:
Base-Base interactions energy: -158.278
where: short stacking energy: -63.508
Base-Backbone interact. energy: 0.797
local terms energy: -59.696051
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -5.164
tors. eta vs tors. theta energy: -12.843
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -212.553183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.553183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.609176 (E_RNA)
where:
Base-Base interactions energy: -147.534
where: short stacking energy: -59.731
Base-Backbone interact. energy: 0.156
local terms energy: -65.231088
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -13.144
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -13.495
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -206.393576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.393576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.436375 (E_RNA)
where:
Base-Base interactions energy: -145.053
where: short stacking energy: -58.846
Base-Backbone interact. energy: -0.018
local terms energy: -61.365794
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -8.860
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -15.749
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: 7
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -208.254930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.254930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.262077 (E_RNA)
where:
Base-Base interactions energy: -145.841
where: short stacking energy: -62.196
Base-Backbone interact. energy: -0.216
local terms energy: -62.204466
where:
bonds (distance) C4'-P energy: -10.583
bonds (distance) P-C4' energy: -10.937
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -16.870
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -205.048159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.048159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.097007 (E_RNA)
where:
Base-Base interactions energy: -146.677
where: short stacking energy: -62.958
Base-Backbone interact. energy: -0.099
local terms energy: -58.320773
where:
bonds (distance) C4'-P energy: -10.181
bonds (distance) P-C4' energy: -10.487
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -5.972
tors. eta vs tors. theta energy: -17.932
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: 3
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -191.544724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.544724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.685407 (E_RNA)
where:
Base-Base interactions energy: -135.038
where: short stacking energy: -55.138
Base-Backbone interact. energy: -0.097
local terms energy: -56.550479
where:
bonds (distance) C4'-P energy: -8.479
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: -13.509
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: 264
Temperature: 1.300000
Total energy: -177.201552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.201552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.060816 (E_RNA)
where:
Base-Base interactions energy: -132.160
where: short stacking energy: -59.860
Base-Backbone interact. energy: -0.202
local terms energy: -53.697995
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -2.256
tors. eta vs tors. theta energy: -13.971
Dist. restrs. and SS energy: 8.859 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -169.916565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.916565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.110051 (E_RNA)
where:
Base-Base interactions energy: -120.911
where: short stacking energy: -53.599
Base-Backbone interact. energy: -0.331
local terms energy: -55.868485
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -10.524
flat angles P-C4'-P energy: -6.037
tors. eta vs tors. theta energy: -13.397
Dist. restrs. and SS energy: 7.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -233.046154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.046154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.064616 (E_RNA)
where:
Base-Base interactions energy: -162.188
where: short stacking energy: -60.759
Base-Backbone interact. energy: -0.105
local terms energy: -70.770905
where:
bonds (distance) C4'-P energy: -12.698
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -17.960
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -215.280943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.280943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.323282 (E_RNA)
where:
Base-Base interactions energy: -159.311
where: short stacking energy: -60.156
Base-Backbone interact. energy: -0.165
local terms energy: -55.847080
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -11.991
flat angles C4'-P-C4' energy: -11.334
flat angles P-C4'-P energy: -5.968
tors. eta vs tors. theta energy: -14.183
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -217.176488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.176488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.180252 (E_RNA)
where:
Base-Base interactions energy: -158.712
where: short stacking energy: -61.122
Base-Backbone interact. energy: -0.015
local terms energy: -58.453520
where:
bonds (distance) C4'-P energy: -11.948
bonds (distance) P-C4' energy: -9.141
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -6.385
tors. eta vs tors. theta energy: -15.341
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: 8
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -206.862065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.862065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.871269 (E_RNA)
where:
Base-Base interactions energy: -143.025
where: short stacking energy: -58.951
Base-Backbone interact. energy: -0.236
local terms energy: -63.610625
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -10.930
flat angles C4'-P-C4' energy: -11.359
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -17.036
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -204.937776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.937776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.937776 (E_RNA)
where:
Base-Base interactions energy: -144.936
where: short stacking energy: -58.304
Base-Backbone interact. energy: -0.100
local terms energy: -59.901428
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: -14.392
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -207.338502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.338502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.485294 (E_RNA)
where:
Base-Base interactions energy: -146.099
where: short stacking energy: -61.940
Base-Backbone interact. energy: -0.212
local terms energy: -61.174042
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -13.265
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -199.234823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.234823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.345698 (E_RNA)
where:
Base-Base interactions energy: -141.440
where: short stacking energy: -60.134
Base-Backbone interact. energy: -0.000
local terms energy: -57.905484
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -10.826
flat angles P-C4'-P energy: -8.294
tors. eta vs tors. theta energy: -14.547
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -182.804171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.804171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.395068 (E_RNA)
where:
Base-Base interactions energy: -134.239
where: short stacking energy: -56.958
Base-Backbone interact. energy: -0.002
local terms energy: -55.154084
where:
bonds (distance) C4'-P energy: -9.181
bonds (distance) P-C4' energy: -10.365
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -3.844
tors. eta vs tors. theta energy: -19.067
Dist. restrs. and SS energy: 6.591 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -198.058155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.058155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.130589 (E_RNA)
where:
Base-Base interactions energy: -137.985
where: short stacking energy: -53.168
Base-Backbone interact. energy: -0.052
local terms energy: -60.093201
where:
bonds (distance) C4'-P energy: -10.952
bonds (distance) P-C4' energy: -12.921
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -15.107
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: 5
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -169.790646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.790646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.885652 (E_RNA)
where:
Base-Base interactions energy: -121.290
where: short stacking energy: -52.190
Base-Backbone interact. energy: -0.629
local terms energy: -54.966873
where:
bonds (distance) C4'-P energy: -11.033
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -8.704
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -11.868
Dist. restrs. and SS energy: 7.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -234.705104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.705104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.706579 (E_RNA)
where:
Base-Base interactions energy: -171.084
where: short stacking energy: -67.486
Base-Backbone interact. energy: -0.012
local terms energy: -63.609913
where:
bonds (distance) C4'-P energy: -9.995
bonds (distance) P-C4' energy: -14.007
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -5.138
tors. eta vs tors. theta energy: -18.843
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: 9
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -220.205524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.205524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.237104 (E_RNA)
where:
Base-Base interactions energy: -154.261
where: short stacking energy: -66.367
Base-Backbone interact. energy: -0.001
local terms energy: -65.975324
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -13.361
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -15.933
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: 266
Temperature: 1.000000
Total energy: -228.967081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.967081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.222173 (E_RNA)
where:
Base-Base interactions energy: -165.727
where: short stacking energy: -64.915
Base-Backbone interact. energy: -0.628
local terms energy: -62.867821
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -5.204
tors. eta vs tors. theta energy: -16.611
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: 4, replica: 1
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -207.490668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.490668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.496464 (E_RNA)
where:
Base-Base interactions energy: -147.530
where: short stacking energy: -53.470
Base-Backbone interact. energy: -0.559
local terms energy: -59.407258
where:
bonds (distance) C4'-P energy: -10.293
bonds (distance) P-C4' energy: -12.431
flat angles C4'-P-C4' energy: -12.772
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -14.737
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: 266
Temperature: 1.100000
Total energy: -207.758048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.758048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.803104 (E_RNA)
where:
Base-Base interactions energy: -142.069
where: short stacking energy: -59.892
Base-Backbone interact. energy: -0.059
local terms energy: -65.674682
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: -18.089
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: 2
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -206.311054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.311054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.355017 (E_RNA)
where:
Base-Base interactions energy: -146.063
where: short stacking energy: -62.212
Base-Backbone interact. energy: -0.071
local terms energy: -60.221004
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -8.536
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -8.882
tors. eta vs tors. theta energy: -15.833
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: 7, replica: 7
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -209.926558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.926558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.053423 (E_RNA)
where:
Base-Base interactions energy: -156.110
where: short stacking energy: -62.280
Base-Backbone interact. energy: -0.064
local terms energy: -53.880042
where:
bonds (distance) C4'-P energy: -7.321
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -7.075
tors. eta vs tors. theta energy: -14.157
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: 266
Temperature: 1.250000
Total energy: -166.061847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.061847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.507405 (E_RNA)
where:
Base-Base interactions energy: -129.227
where: short stacking energy: -47.550
Base-Backbone interact. energy: 2.909
local terms energy: -47.188624
where:
bonds (distance) C4'-P energy: -3.322
bonds (distance) P-C4' energy: -7.858
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -12.298
Dist. restrs. and SS energy: 7.446 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -198.308648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.308648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.485341 (E_RNA)
where:
Base-Base interactions energy: -134.987
where: short stacking energy: -51.907
Base-Backbone interact. energy: 0.075
local terms energy: -63.573459
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: -15.748
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -171.828114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.828114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.017665 (E_RNA)
where:
Base-Base interactions energy: -124.690
where: short stacking energy: -46.527
Base-Backbone interact. energy: -0.292
local terms energy: -54.035439
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -8.795
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -3.295
tors. eta vs tors. theta energy: -13.930
Dist. restrs. and SS energy: 7.190 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -225.523246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.523246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.644214 (E_RNA)
where:
Base-Base interactions energy: -164.204
where: short stacking energy: -65.978
Base-Backbone interact. energy: -0.054
local terms energy: -61.386313
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -4.853
tors. eta vs tors. theta energy: -14.217
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: 8
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -232.668486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.668486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.674996 (E_RNA)
where:
Base-Base interactions energy: -165.225
where: short stacking energy: -66.720
Base-Backbone interact. energy: -0.005
local terms energy: -67.445249
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -19.290
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: 267
Temperature: 1.000000
Total energy: -214.025192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.025192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.044903 (E_RNA)
where:
Base-Base interactions energy: -148.666
where: short stacking energy: -58.036
Base-Backbone interact. energy: -0.000
local terms energy: -65.378740
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -16.674
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -212.624859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.624859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.658750 (E_RNA)
where:
Base-Base interactions energy: -144.854
where: short stacking energy: -58.366
Base-Backbone interact. energy: -0.002
local terms energy: -67.803691
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -11.595
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -17.248
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -207.357780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.357780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.360634 (E_RNA)
where:
Base-Base interactions energy: -140.747
where: short stacking energy: -60.688
Base-Backbone interact. energy: -0.001
local terms energy: -66.613314
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -8.823
tors. eta vs tors. theta energy: -18.075
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: 7
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -204.650642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.650642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.652738 (E_RNA)
where:
Base-Base interactions energy: -147.641
where: short stacking energy: -60.061
Base-Backbone interact. energy: -0.556
local terms energy: -56.455778
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -6.752
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -16.154
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -198.718074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.718074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.820853 (E_RNA)
where:
Base-Base interactions energy: -140.255
where: short stacking energy: -57.512
Base-Backbone interact. energy: -0.097
local terms energy: -58.468095
where:
bonds (distance) C4'-P energy: -9.928
bonds (distance) P-C4' energy: -10.297
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -14.417
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: 3
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -204.455790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.455790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.615667 (E_RNA)
where:
Base-Base interactions energy: -146.476
where: short stacking energy: -57.150
Base-Backbone interact. energy: -0.104
local terms energy: -58.035014
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -12.972
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: -11.579
Dist. restrs. and SS energy: 0.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -169.565320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.565320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.194455 (E_RNA)
where:
Base-Base interactions energy: -119.501
where: short stacking energy: -47.450
Base-Backbone interact. energy: 2.095
local terms energy: -59.787906
where:
bonds (distance) C4'-P energy: -12.848
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -10.581
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -13.430
Dist. restrs. and SS energy: 7.629 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -175.548965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.548965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.724556 (E_RNA)
where:
Base-Base interactions energy: -122.104
where: short stacking energy: -52.972
Base-Backbone interact. energy: -0.025
local terms energy: -61.595896
where:
bonds (distance) C4'-P energy: -11.571
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -13.887
Dist. restrs. and SS energy: 8.176 (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: 8
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -236.487664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.487664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.517815 (E_RNA)
where:
Base-Base interactions energy: -174.192
where: short stacking energy: -69.713
Base-Backbone interact. energy: -0.438
local terms energy: -61.887665
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -11.007
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -17.658
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -221.345942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.345942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.360675 (E_RNA)
where:
Base-Base interactions energy: -158.052
where: short stacking energy: -59.877
Base-Backbone interact. energy: -0.049
local terms energy: -63.258897
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -12.725
flat angles P-C4'-P energy: -5.362
tors. eta vs tors. theta energy: -16.258
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -215.571388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.571388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.679703 (E_RNA)
where:
Base-Base interactions energy: -148.106
where: short stacking energy: -64.071
Base-Backbone interact. energy: -0.280
local terms energy: -67.293690
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -8.512
flat angles C4'-P-C4' energy: -15.805
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -17.388
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: 9
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -205.042902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.042902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.074341 (E_RNA)
where:
Base-Base interactions energy: -139.784
where: short stacking energy: -56.466
Base-Backbone interact. energy: -0.484
local terms energy: -64.806394
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -16.302
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: 7
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -214.324481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.324481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.335129 (E_RNA)
where:
Base-Base interactions energy: -144.379
where: short stacking energy: -55.744
Base-Backbone interact. energy: -0.001
local terms energy: -69.954900
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -16.998
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: 1
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -209.370411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.370411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.370411 (E_RNA)
where:
Base-Base interactions energy: -143.340
where: short stacking energy: -58.730
Base-Backbone interact. energy: -0.092
local terms energy: -65.939097
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -16.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -209.009453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.009453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.096361 (E_RNA)
where:
Base-Base interactions energy: -149.794
where: short stacking energy: -61.406
Base-Backbone interact. energy: -0.123
local terms energy: -59.180064
where:
bonds (distance) C4'-P energy: -9.721
bonds (distance) P-C4' energy: -9.949
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -17.848
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: 2
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -198.491444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.491444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.533088 (E_RNA)
where:
Base-Base interactions energy: -141.601
where: short stacking energy: -53.740
Base-Backbone interact. energy: -0.027
local terms energy: -56.905287
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -10.030
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: 268
Temperature: 1.300000
Total energy: -181.624722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.624722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.131779 (E_RNA)
where:
Base-Base interactions energy: -132.225
where: short stacking energy: -54.184
Base-Backbone interact. energy: -0.693
local terms energy: -56.214453
where:
bonds (distance) C4'-P energy: -11.014
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -5.116
tors. eta vs tors. theta energy: -10.035
Dist. restrs. and SS energy: 7.507 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -169.515178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.515178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.830758 (E_RNA)
where:
Base-Base interactions energy: -129.688
where: short stacking energy: -52.302
Base-Backbone interact. energy: -0.612
local terms energy: -47.531318
where:
bonds (distance) C4'-P energy: -9.026
bonds (distance) P-C4' energy: -9.982
flat angles C4'-P-C4' energy: -10.733
flat angles P-C4'-P energy: -0.788
tors. eta vs tors. theta energy: -17.001
Dist. restrs. and SS energy: 8.316 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -233.516756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.516756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.531612 (E_RNA)
where:
Base-Base interactions energy: -169.884
where: short stacking energy: -65.054
Base-Backbone interact. energy: -0.065
local terms energy: -63.582358
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -15.740
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -219.281404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.281404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.305480 (E_RNA)
where:
Base-Base interactions energy: -155.579
where: short stacking energy: -69.027
Base-Backbone interact. energy: -0.106
local terms energy: -63.620603
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -11.293
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -6.468
tors. eta vs tors. theta energy: -17.969
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: 269
Temperature: 1.000000
Total energy: -217.184909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.184909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.184909 (E_RNA)
where:
Base-Base interactions energy: -158.504
where: short stacking energy: -64.059
Base-Backbone interact. energy: 0.814
local terms energy: -59.494314
where:
bonds (distance) C4'-P energy: -9.579
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -4.757
tors. eta vs tors. theta energy: -16.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -210.626156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.626156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.715056 (E_RNA)
where:
Base-Base interactions energy: -147.627
where: short stacking energy: -62.664
Base-Backbone interact. energy: -0.020
local terms energy: -63.068518
where:
bonds (distance) C4'-P energy: -10.363
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -5.976
tors. eta vs tors. theta energy: -17.554
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: 9
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -211.364753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.364753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.364753 (E_RNA)
where:
Base-Base interactions energy: -140.468
where: short stacking energy: -56.837
Base-Backbone interact. energy: -0.002
local terms energy: -70.894396
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -15.850
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -204.973719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.973719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.136701 (E_RNA)
where:
Base-Base interactions energy: -139.831
where: short stacking energy: -52.839
Base-Backbone interact. energy: -0.027
local terms energy: -65.278929
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -13.847
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -5.715
tors. eta vs tors. theta energy: -17.281
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: 3
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -216.168965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.168965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.253856 (E_RNA)
where:
Base-Base interactions energy: -157.756
where: short stacking energy: -60.005
Base-Backbone interact. energy: -0.732
local terms energy: -57.765585
where:
bonds (distance) C4'-P energy: -10.479
bonds (distance) P-C4' energy: -9.695
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -15.013
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: 2
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -196.140253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.140253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.520822 (E_RNA)
where:
Base-Base interactions energy: -132.340
where: short stacking energy: -53.973
Base-Backbone interact. energy: -0.471
local terms energy: -63.710024
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -13.269
Dist. restrs. and SS energy: 0.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -172.571470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.571470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.097535 (E_RNA)
where:
Base-Base interactions energy: -124.949
where: short stacking energy: -54.403
Base-Backbone interact. energy: 0.021
local terms energy: -55.169956
where:
bonds (distance) C4'-P energy: -7.501
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -10.195
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -14.039
Dist. restrs. and SS energy: 7.526 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -168.257869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.257869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.553868 (E_RNA)
where:
Base-Base interactions energy: -132.513
where: short stacking energy: -56.350
Base-Backbone interact. energy: -0.641
local terms energy: -42.399100
where:
bonds (distance) C4'-P energy: -6.343
bonds (distance) P-C4' energy: -10.639
flat angles C4'-P-C4' energy: -6.900
flat angles P-C4'-P energy: -4.156
tors. eta vs tors. theta energy: -14.360
Dist. restrs. and SS energy: 7.296 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -234.330183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.330183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.330183 (E_RNA)
where:
Base-Base interactions energy: -166.666
where: short stacking energy: -67.970
Base-Backbone interact. energy: -0.006
local terms energy: -67.658008
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -15.316
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -224.663426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.663426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.696450 (E_RNA)
where:
Base-Base interactions energy: -158.727
where: short stacking energy: -64.218
Base-Backbone interact. energy: -0.289
local terms energy: -65.680778
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -16.845
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -225.335369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.335369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.335369 (E_RNA)
where:
Base-Base interactions energy: -166.067
where: short stacking energy: -67.485
Base-Backbone interact. energy: 3.920
local terms energy: -63.188782
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -6.701
tors. eta vs tors. theta energy: -16.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -218.088587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.088587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.119823 (E_RNA)
where:
Base-Base interactions energy: -158.461
where: short stacking energy: -61.095
Base-Backbone interact. energy: -0.000
local terms energy: -59.659013
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -10.069
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -8.419
tors. eta vs tors. theta energy: -14.453
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: 1
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -208.202763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.202763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.279421 (E_RNA)
where:
Base-Base interactions energy: -148.197
where: short stacking energy: -59.635
Base-Backbone interact. energy: -0.112
local terms energy: -59.970250
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -7.204
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: -16.971
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -202.422429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.422429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.457679 (E_RNA)
where:
Base-Base interactions energy: -140.859
where: short stacking energy: -58.135
Base-Backbone interact. energy: -0.005
local terms energy: -61.593385
where:
bonds (distance) C4'-P energy: -10.361
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -10.395
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -15.973
Dist. restrs. and SS energy: 0.035 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -203.088050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.088050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.161336 (E_RNA)
where:
Base-Base interactions energy: -142.437
where: short stacking energy: -49.636
Base-Backbone interact. energy: -0.037
local terms energy: -60.687317
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -13.479
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: 3
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -198.634574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.634574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.078944 (E_RNA)
where:
Base-Base interactions energy: -132.767
where: short stacking energy: -60.699
Base-Backbone interact. energy: 0.509
local terms energy: -66.821222
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -14.968
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: 9, replica: 5
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -175.126666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.126666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.925508 (E_RNA)
where:
Base-Base interactions energy: -127.653
where: short stacking energy: -49.327
Base-Backbone interact. energy: -1.159
local terms energy: -53.113275
where:
bonds (distance) C4'-P energy: -10.860
bonds (distance) P-C4' energy: -7.903
flat angles C4'-P-C4' energy: -10.076
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -15.933
Dist. restrs. and SS energy: 6.799 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -179.919917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.919917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.868746 (E_RNA)
where:
Base-Base interactions energy: -134.747
where: short stacking energy: -56.175
Base-Backbone interact. energy: 3.072
local terms energy: -56.193156
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -13.188
flat angles C4'-P-C4' energy: -8.994
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: -16.021
Dist. restrs. and SS energy: 7.949 (S_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: 271
Temperature: 0.900000
Total energy: -236.034896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.034896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.068633 (E_RNA)
where:
Base-Base interactions energy: -171.464
where: short stacking energy: -69.604
Base-Backbone interact. energy: -0.019
local terms energy: -64.586152
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -12.260
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -12.184
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -219.626115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.626115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.690394 (E_RNA)
where:
Base-Base interactions energy: -160.985
where: short stacking energy: -65.106
Base-Backbone interact. energy: -0.230
local terms energy: -58.475791
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -10.219
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -5.297
tors. eta vs tors. theta energy: -13.191
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -219.051782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.051782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.102575 (E_RNA)
where:
Base-Base interactions energy: -160.445
where: short stacking energy: -62.275
Base-Backbone interact. energy: 0.918
local terms energy: -59.575718
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -10.713
flat angles P-C4'-P energy: -7.705
tors. eta vs tors. theta energy: -13.036
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -203.403219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.403219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.409184 (E_RNA)
where:
Base-Base interactions energy: -140.729
where: short stacking energy: -58.134
Base-Backbone interact. energy: -0.043
local terms energy: -62.637059
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -10.412
flat angles C4'-P-C4' energy: -14.067
flat angles P-C4'-P energy: -6.546
tors. eta vs tors. theta energy: -17.233
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -209.478707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.478707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.545792 (E_RNA)
where:
Base-Base interactions energy: -157.952
where: short stacking energy: -60.935
Base-Backbone interact. energy: -0.032
local terms energy: -51.561708
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -11.956
flat angles C4'-P-C4' energy: -11.512
flat angles P-C4'-P energy: -7.027
tors. eta vs tors. theta energy: -10.711
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: 2
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -202.669052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.669052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.769806 (E_RNA)
where:
Base-Base interactions energy: -142.102
where: short stacking energy: -55.020
Base-Backbone interact. energy: -0.008
local terms energy: -60.660212
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -11.413
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -8.248
tors. eta vs tors. theta energy: -14.226
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: 271
Temperature: 1.200000
Total energy: -202.459731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.459731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.513038 (E_RNA)
where:
Base-Base interactions energy: -144.685
where: short stacking energy: -62.847
Base-Backbone interact. energy: -0.088
local terms energy: -57.740740
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -9.072
flat angles P-C4'-P energy: -5.781
tors. eta vs tors. theta energy: -16.325
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: 5
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -185.103058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.103058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.690279 (E_RNA)
where:
Base-Base interactions energy: -135.808
where: short stacking energy: -55.346
Base-Backbone interact. energy: -0.022
local terms energy: -57.860637
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -10.386
flat angles C4'-P-C4' energy: -10.913
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -12.373
Dist. restrs. and SS energy: 8.587 (S_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: 271
Temperature: 1.300000
Total energy: -205.816923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.816923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.905657 (E_RNA)
where:
Base-Base interactions energy: -142.644
where: short stacking energy: -52.315
Base-Backbone interact. energy: -0.098
local terms energy: -63.163521
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -10.372
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -175.762851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.762851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.652728 (E_RNA)
where:
Base-Base interactions energy: -117.172
where: short stacking energy: -46.903
Base-Backbone interact. energy: -0.005
local terms energy: -66.476016
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -16.200
flat angles C4'-P-C4' energy: -11.381
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -13.257
Dist. restrs. and SS energy: 7.890 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -222.383453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.383453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.542108 (E_RNA)
where:
Base-Base interactions energy: -157.272
where: short stacking energy: -65.180
Base-Backbone interact. energy: -0.825
local terms energy: -64.444858
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -4.630
tors. eta vs tors. theta energy: -17.875
Dist. restrs. and SS energy: 0.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -236.558944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.558944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.667507 (E_RNA)
where:
Base-Base interactions energy: -177.186
where: short stacking energy: -73.922
Base-Backbone interact. energy: -0.141
local terms energy: -59.340474
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -6.282
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -7.120
tors. eta vs tors. theta energy: -18.141
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: 3, replica: 7
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -214.479665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.479665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.643249 (E_RNA)
where:
Base-Base interactions energy: -154.424
where: short stacking energy: -68.097
Base-Backbone interact. energy: -0.000
local terms energy: -60.219209
where:
bonds (distance) C4'-P energy: -4.927
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -19.757
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: 10
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -219.706024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.706024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.746290 (E_RNA)
where:
Base-Base interactions energy: -157.033
where: short stacking energy: -60.667
Base-Backbone interact. energy: -0.878
local terms energy: -61.835581
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -12.004
flat angles P-C4'-P energy: -7.627
tors. eta vs tors. theta energy: -17.733
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: 272
Temperature: 1.100000
Total energy: -210.468194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.468194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.490100 (E_RNA)
where:
Base-Base interactions energy: -150.941
where: short stacking energy: -62.997
Base-Backbone interact. energy: -0.005
local terms energy: -59.543460
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -10.977
flat angles P-C4'-P energy: -6.314
tors. eta vs tors. theta energy: -16.299
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: 272
Temperature: 1.150000
Total energy: -218.623188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.623188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.702590 (E_RNA)
where:
Base-Base interactions energy: -154.862
where: short stacking energy: -60.965
Base-Backbone interact. energy: 0.007
local terms energy: -63.847222
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: -14.990
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -192.724163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.724163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.431310 (E_RNA)
where:
Base-Base interactions energy: -139.495
where: short stacking energy: -63.887
Base-Backbone interact. energy: -0.475
local terms energy: -60.461127
where:
bonds (distance) C4'-P energy: -10.628
bonds (distance) P-C4' energy: -7.917
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -18.146
Dist. restrs. and SS energy: 7.707 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -196.924579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.924579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.935625 (E_RNA)
where:
Base-Base interactions energy: -137.389
where: short stacking energy: -53.671
Base-Backbone interact. energy: -0.397
local terms energy: -59.150145
where:
bonds (distance) C4'-P energy: -14.246
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -10.332
flat angles P-C4'-P energy: -6.535
tors. eta vs tors. theta energy: -14.949
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: 4
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -183.929912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.929912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.852995 (E_RNA)
where:
Base-Base interactions energy: -134.756
where: short stacking energy: -55.888
Base-Backbone interact. energy: -0.475
local terms energy: -55.621913
where:
bonds (distance) C4'-P energy: -10.327
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -10.036
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -13.813
Dist. restrs. and SS energy: 6.923 (S_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: 272
Temperature: 1.350000
Total energy: -201.709764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.709764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.740805 (E_RNA)
where:
Base-Base interactions energy: -140.250
where: short stacking energy: -57.294
Base-Backbone interact. energy: -0.111
local terms energy: -61.379842
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -7.836
tors. eta vs tors. theta energy: -15.766
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: 273
Temperature: 0.900000
Total energy: -234.301884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.301884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.302618 (E_RNA)
where:
Base-Base interactions energy: -164.261
where: short stacking energy: -69.105
Base-Backbone interact. energy: -0.001
local terms energy: -70.040287
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -17.878
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -214.516607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.516607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.516607 (E_RNA)
where:
Base-Base interactions energy: -151.817
where: short stacking energy: -63.833
Base-Backbone interact. energy: -0.304
local terms energy: -62.395566
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -11.514
flat angles C4'-P-C4' energy: -9.791
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -17.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -237.851248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.851248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.947075 (E_RNA)
where:
Base-Base interactions energy: -169.036
where: short stacking energy: -70.470
Base-Backbone interact. energy: -0.044
local terms energy: -68.866765
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -17.003
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: 10
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -208.818354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.818354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.842640 (E_RNA)
where:
Base-Base interactions energy: -143.827
where: short stacking energy: -60.820
Base-Backbone interact. energy: -0.369
local terms energy: -64.646494
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -5.750
tors. eta vs tors. theta energy: -18.399
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: 273
Temperature: 1.100000
Total energy: -206.416566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.416566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.669248 (E_RNA)
where:
Base-Base interactions energy: -141.704
where: short stacking energy: -64.552
Base-Backbone interact. energy: -0.016
local terms energy: -64.949719
where:
bonds (distance) C4'-P energy: -10.787
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -12.947
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -16.071
Dist. restrs. and SS energy: 0.253 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -191.246322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.246322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.009327 (E_RNA)
where:
Base-Base interactions energy: -131.960
where: short stacking energy: -58.781
Base-Backbone interact. energy: -0.253
local terms energy: -66.795692
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -15.941
Dist. restrs. and SS energy: 7.763 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -201.722789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.722789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.834562 (E_RNA)
where:
Base-Base interactions energy: -141.030
where: short stacking energy: -55.789
Base-Backbone interact. energy: -0.498
local terms energy: -60.305789
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -13.056
flat angles P-C4'-P energy: -3.825
tors. eta vs tors. theta energy: -16.095
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -178.883553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.883553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.503571 (E_RNA)
where:
Base-Base interactions energy: -128.838
where: short stacking energy: -53.577
Base-Backbone interact. energy: -0.382
local terms energy: -57.283226
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -10.067
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -12.789
Dist. restrs. and SS energy: 7.620 (S_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: 273
Temperature: 1.300000
Total energy: -201.252513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.252513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.292138 (E_RNA)
where:
Base-Base interactions energy: -140.420
where: short stacking energy: -53.740
Base-Backbone interact. energy: -0.100
local terms energy: -60.772105
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -11.234
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -200.507082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.507082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.534428 (E_RNA)
where:
Base-Base interactions energy: -139.546
where: short stacking energy: -57.549
Base-Backbone interact. energy: -0.310
local terms energy: -60.678380
where:
bonds (distance) C4'-P energy: -11.162
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -4.401
tors. eta vs tors. theta energy: -15.284
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: 6
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -224.716708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.716708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.718805 (E_RNA)
where:
Base-Base interactions energy: -161.408
where: short stacking energy: -62.647
Base-Backbone interact. energy: -0.006
local terms energy: -63.304883
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -6.723
tors. eta vs tors. theta energy: -15.850
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -213.373226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.373226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.448451 (E_RNA)
where:
Base-Base interactions energy: -144.900
where: short stacking energy: -59.437
Base-Backbone interact. energy: -0.307
local terms energy: -68.241653
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -15.143
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: 8
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -231.789635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.789635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.902879 (E_RNA)
where:
Base-Base interactions energy: -171.093
where: short stacking energy: -67.406
Base-Backbone interact. energy: -0.618
local terms energy: -60.191751
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -4.549
tors. eta vs tors. theta energy: -15.026
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -220.638230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.638230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.993527 (E_RNA)
where:
Base-Base interactions energy: -157.375
where: short stacking energy: -61.225
Base-Backbone interact. energy: -0.005
local terms energy: -63.613586
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -11.210
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -17.624
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: 5
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -195.124980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.124980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.340603 (E_RNA)
where:
Base-Base interactions energy: -138.834
where: short stacking energy: -61.972
Base-Backbone interact. energy: 0.684
local terms energy: -65.190119
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -13.521
Dist. restrs. and SS energy: 8.216 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -204.164447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.164447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.247495 (E_RNA)
where:
Base-Base interactions energy: -144.293
where: short stacking energy: -60.276
Base-Backbone interact. energy: -0.003
local terms energy: -59.951091
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -5.426
tors. eta vs tors. theta energy: -16.692
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: 4
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -182.730943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.730943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.293591 (E_RNA)
where:
Base-Base interactions energy: -134.144
where: short stacking energy: -59.535
Base-Backbone interact. energy: -0.413
local terms energy: -57.736635
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -7.931
flat angles C4'-P-C4' energy: -13.177
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -16.793
Dist. restrs. and SS energy: 9.563 (S_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: 274
Temperature: 1.250000
Total energy: -199.682006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.682006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.707287 (E_RNA)
where:
Base-Base interactions energy: -137.308
where: short stacking energy: -58.510
Base-Backbone interact. energy: -0.141
local terms energy: -62.257610
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -11.281
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -14.158
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: 3
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -197.303210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.303210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.441715 (E_RNA)
where:
Base-Base interactions energy: -151.073
where: short stacking energy: -56.645
Base-Backbone interact. energy: -0.005
local terms energy: -46.363790
where:
bonds (distance) C4'-P energy: -10.760
bonds (distance) P-C4' energy: -7.360
flat angles C4'-P-C4' energy: -11.737
flat angles P-C4'-P energy: -3.672
tors. eta vs tors. theta energy: -12.835
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: 9
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -191.643105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.643105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.668754 (E_RNA)
where:
Base-Base interactions energy: -129.942
where: short stacking energy: -47.792
Base-Backbone interact. energy: -0.038
local terms energy: -61.689659
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -14.218
flat angles C4'-P-C4' energy: -12.859
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -13.510
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -225.423572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.423572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.485067 (E_RNA)
where:
Base-Base interactions energy: -160.774
where: short stacking energy: -68.500
Base-Backbone interact. energy: -0.003
local terms energy: -64.708557
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -9.037
flat angles P-C4'-P energy: -10.826
tors. eta vs tors. theta energy: -16.968
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: 8
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -224.797517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.797517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.823429 (E_RNA)
where:
Base-Base interactions energy: -163.800
where: short stacking energy: -61.318
Base-Backbone interact. energy: -0.013
local terms energy: -61.010288
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -3.592
tors. eta vs tors. theta energy: -14.522
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -211.115828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.115828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.135454 (E_RNA)
where:
Base-Base interactions energy: -151.244
where: short stacking energy: -57.508
Base-Backbone interact. energy: -0.010
local terms energy: -59.881823
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -11.340
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: -14.791
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -204.084012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.084012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.151882 (E_RNA)
where:
Base-Base interactions energy: -147.850
where: short stacking energy: -64.047
Base-Backbone interact. energy: -0.013
local terms energy: -56.288973
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -9.109
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -6.288
tors. eta vs tors. theta energy: -14.295
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: 5
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -201.072443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.072443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.853242 (E_RNA)
where:
Base-Base interactions energy: -147.838
where: short stacking energy: -64.611
Base-Backbone interact. energy: -0.428
local terms energy: -60.586620
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -5.942
tors. eta vs tors. theta energy: -14.786
Dist. restrs. and SS energy: 7.781 (S_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: 275
Temperature: 1.150000
Total energy: -201.919456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.919456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.938926 (E_RNA)
where:
Base-Base interactions energy: -137.206
where: short stacking energy: -53.690
Base-Backbone interact. energy: -0.878
local terms energy: -63.854449
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -9.811
tors. eta vs tors. theta energy: -14.068
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -179.496126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.496126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.938771 (E_RNA)
where:
Base-Base interactions energy: -128.023
where: short stacking energy: -57.288
Base-Backbone interact. energy: -0.026
local terms energy: -59.890555
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -12.784
flat angles C4'-P-C4' energy: -10.302
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -13.632
Dist. restrs. and SS energy: 8.443 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -200.185467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.185467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.257450 (E_RNA)
where:
Base-Base interactions energy: -139.291
where: short stacking energy: -54.274
Base-Backbone interact. energy: -0.002
local terms energy: -60.964897
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -9.026
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -17.049
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: 1
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -203.889571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.889571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.049224 (E_RNA)
where:
Base-Base interactions energy: -143.479
where: short stacking energy: -51.748
Base-Backbone interact. energy: -0.042
local terms energy: -60.528140
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -12.040
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: -16.045
Dist. restrs. and SS energy: 0.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -194.802576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.802576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.906245 (E_RNA)
where:
Base-Base interactions energy: -131.513
where: short stacking energy: -55.415
Base-Backbone interact. energy: -0.058
local terms energy: -63.335187
where:
bonds (distance) C4'-P energy: -11.681
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -14.273
flat angles P-C4'-P energy: -6.481
tors. eta vs tors. theta energy: -16.074
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: 6
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -220.984309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.984309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.984309 (E_RNA)
where:
Base-Base interactions energy: -154.397
where: short stacking energy: -61.922
Base-Backbone interact. energy: -0.010
local terms energy: -66.577973
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -7.341
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -17.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -207.733212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.733212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.733212 (E_RNA)
where:
Base-Base interactions energy: -140.875
where: short stacking energy: -53.221
Base-Backbone interact. energy: -0.006
local terms energy: -66.851594
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -12.500
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -11.417
tors. eta vs tors. theta energy: -15.270
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -213.745263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.745263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.842381 (E_RNA)
where:
Base-Base interactions energy: -149.614
where: short stacking energy: -59.334
Base-Backbone interact. energy: -0.007
local terms energy: -64.221631
where:
bonds (distance) C4'-P energy: -13.624
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -11.370
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -17.215
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -213.460945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.460945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.625972 (E_RNA)
where:
Base-Base interactions energy: -153.809
where: short stacking energy: -60.656
Base-Backbone interact. energy: -0.060
local terms energy: -59.757365
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -12.168
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -4.224
tors. eta vs tors. theta energy: -15.299
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -205.863759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.863759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.979940 (E_RNA)
where:
Base-Base interactions energy: -145.993
where: short stacking energy: -60.463
Base-Backbone interact. energy: -0.016
local terms energy: -59.970128
where:
bonds (distance) C4'-P energy: -7.593
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -14.780
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -189.203213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.203213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.125819 (E_RNA)
where:
Base-Base interactions energy: -134.681
where: short stacking energy: -60.995
Base-Backbone interact. energy: -0.008
local terms energy: -62.436752
where:
bonds (distance) C4'-P energy: -10.682
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -8.473
tors. eta vs tors. theta energy: -16.591
Dist. restrs. and SS energy: 7.923 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -199.177007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.177007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.227086 (E_RNA)
where:
Base-Base interactions energy: -143.801
where: short stacking energy: -57.686
Base-Backbone interact. energy: -0.002
local terms energy: -55.424226
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -10.374
flat angles C4'-P-C4' energy: -9.520
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -14.615
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: 276
Temperature: 1.250000
Total energy: -187.098788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.098788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.189864 (E_RNA)
where:
Base-Base interactions energy: -134.019
where: short stacking energy: -50.468
Base-Backbone interact. energy: -0.320
local terms energy: -59.850446
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -15.242
flat angles C4'-P-C4' energy: -11.592
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: -13.404
Dist. restrs. and SS energy: 7.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -194.866625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.866625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.899053 (E_RNA)
where:
Base-Base interactions energy: -138.718
where: short stacking energy: -56.632
Base-Backbone interact. energy: -0.098
local terms energy: -56.083087
where:
bonds (distance) C4'-P energy: -8.867
bonds (distance) P-C4' energy: -12.098
flat angles C4'-P-C4' energy: -8.977
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -15.632
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: 276
Temperature: 1.350000
Total energy: -185.491917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.491917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.668327 (E_RNA)
where:
Base-Base interactions energy: -131.452
where: short stacking energy: -45.544
Base-Backbone interact. energy: 0.500
local terms energy: -54.716314
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -10.749
flat angles C4'-P-C4' energy: -12.152
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -12.342
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: 6
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -221.135190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.135190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.249172 (E_RNA)
where:
Base-Base interactions energy: -154.209
where: short stacking energy: -68.804
Base-Backbone interact. energy: -0.128
local terms energy: -66.912384
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -17.972
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: 10
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -228.669376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.669376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.673000 (E_RNA)
where:
Base-Base interactions energy: -167.499
where: short stacking energy: -67.907
Base-Backbone interact. energy: -0.054
local terms energy: -61.119973
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -5.118
tors. eta vs tors. theta energy: -16.796
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: 277
Temperature: 1.000000
Total energy: -212.576024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.576024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.593696 (E_RNA)
where:
Base-Base interactions energy: -150.093
where: short stacking energy: -61.199
Base-Backbone interact. energy: -0.004
local terms energy: -62.497010
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -15.765
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -217.312554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.312554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.338936 (E_RNA)
where:
Base-Base interactions energy: -151.468
where: short stacking energy: -57.409
Base-Backbone interact. energy: 0.889
local terms energy: -66.759757
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -14.866
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: 277
Temperature: 1.100000
Total energy: -217.591744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.591744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.615091 (E_RNA)
where:
Base-Base interactions energy: -166.325
where: short stacking energy: -68.972
Base-Backbone interact. energy: -0.012
local terms energy: -51.277953
where:
bonds (distance) C4'-P energy: -9.718
bonds (distance) P-C4' energy: -11.474
flat angles C4'-P-C4' energy: -11.860
flat angles P-C4'-P energy: -1.985
tors. eta vs tors. theta energy: -16.241
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -204.082138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.082138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.130189 (E_RNA)
where:
Base-Base interactions energy: -142.528
where: short stacking energy: -54.392
Base-Backbone interact. energy: -0.001
local terms energy: -61.601132
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -5.551
tors. eta vs tors. theta energy: -16.444
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: 277
Temperature: 1.200000
Total energy: -186.838178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.838178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.241577 (E_RNA)
where:
Base-Base interactions energy: -137.262
where: short stacking energy: -60.859
Base-Backbone interact. energy: -0.034
local terms energy: -56.944809
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -10.270
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -15.373
Dist. restrs. and SS energy: 7.403 (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: 1
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -202.680770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.680770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.766998 (E_RNA)
where:
Base-Base interactions energy: -144.115
where: short stacking energy: -58.208
Base-Backbone interact. energy: -0.006
local terms energy: -58.645551
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -11.504
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -13.860
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: 4
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -178.969738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.969738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.655667 (E_RNA)
where:
Base-Base interactions energy: -132.191
where: short stacking energy: -49.492
Base-Backbone interact. energy: -0.012
local terms energy: -54.453091
where:
bonds (distance) C4'-P energy: -9.516
bonds (distance) P-C4' energy: -12.022
flat angles C4'-P-C4' energy: -8.547
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -14.238
Dist. restrs. and SS energy: 7.686 (S_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: 277
Temperature: 1.350000
Total energy: -197.000743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.000743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.054863 (E_RNA)
where:
Base-Base interactions energy: -136.563
where: short stacking energy: -56.546
Base-Backbone interact. energy: -0.656
local terms energy: -59.835910
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -8.691
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -14.485
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -232.409840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.409840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.428053 (E_RNA)
where:
Base-Base interactions energy: -170.371
where: short stacking energy: -69.736
Base-Backbone interact. energy: -0.012
local terms energy: -62.044995
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -12.156
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -4.426
tors. eta vs tors. theta energy: -18.939
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -220.721053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.721053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.808156 (E_RNA)
where:
Base-Base interactions energy: -155.137
where: short stacking energy: -67.859
Base-Backbone interact. energy: -0.034
local terms energy: -65.637836
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -11.334
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -17.818
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: 2
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -216.180109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.180109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.232062 (E_RNA)
where:
Base-Base interactions energy: -146.657
where: short stacking energy: -62.116
Base-Backbone interact. energy: -0.097
local terms energy: -69.477466
where:
bonds (distance) C4'-P energy: -11.454
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -17.236
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -215.759754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.759754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.759754 (E_RNA)
where:
Base-Base interactions energy: -161.534
where: short stacking energy: -66.271
Base-Backbone interact. energy: -0.009
local terms energy: -54.216864
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -9.509
flat angles C4'-P-C4' energy: -9.740
flat angles P-C4'-P energy: -4.792
tors. eta vs tors. theta energy: -16.044
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -204.565575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.565575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.598790 (E_RNA)
where:
Base-Base interactions energy: -146.631
where: short stacking energy: -60.271
Base-Backbone interact. energy: -0.108
local terms energy: -57.860289
where:
bonds (distance) C4'-P energy: -10.525
bonds (distance) P-C4' energy: -9.996
flat angles C4'-P-C4' energy: -12.079
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -18.131
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -200.572234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.572234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.625806 (E_RNA)
where:
Base-Base interactions energy: -149.769
where: short stacking energy: -57.337
Base-Backbone interact. energy: -0.349
local terms energy: -50.507185
where:
bonds (distance) C4'-P energy: -9.308
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -10.030
flat angles P-C4'-P energy: -3.611
tors. eta vs tors. theta energy: -16.048
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -199.269388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.269388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.348566 (E_RNA)
where:
Base-Base interactions energy: -141.475
where: short stacking energy: -51.319
Base-Backbone interact. energy: -0.583
local terms energy: -57.290028
where:
bonds (distance) C4'-P energy: -10.541
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -8.603
tors. eta vs tors. theta energy: -11.779
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: 5
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -183.155324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.155324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.878692 (E_RNA)
where:
Base-Base interactions energy: -132.534
where: short stacking energy: -56.765
Base-Backbone interact. energy: 0.108
local terms energy: -58.453143
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -10.981
flat angles C4'-P-C4' energy: -11.381
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -16.285
Dist. restrs. and SS energy: 7.723 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -195.291774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.291774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.314072 (E_RNA)
where:
Base-Base interactions energy: -136.755
where: short stacking energy: -55.681
Base-Backbone interact. energy: -0.004
local terms energy: -58.554781
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -9.639
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -6.260
tors. eta vs tors. theta energy: -15.282
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -170.060129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.060129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.434267 (E_RNA)
where:
Base-Base interactions energy: -123.155
where: short stacking energy: -52.081
Base-Backbone interact. energy: -0.009
local terms energy: -55.270231
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -9.888
flat angles C4'-P-C4' energy: -11.862
flat angles P-C4'-P energy: -5.329
tors. eta vs tors. theta energy: -15.595
Dist. restrs. and SS energy: 8.374 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -220.241842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.241842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.353323 (E_RNA)
where:
Base-Base interactions energy: -155.790
where: short stacking energy: -66.179
Base-Backbone interact. energy: -0.001
local terms energy: -64.562220
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -6.517
tors. eta vs tors. theta energy: -18.410
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -231.545848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.545848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.629013 (E_RNA)
where:
Base-Base interactions energy: -164.684
where: short stacking energy: -70.030
Base-Backbone interact. energy: -0.000
local terms energy: -66.944943
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -13.260
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -6.842
tors. eta vs tors. theta energy: -19.174
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -218.530165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.530165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.576355 (E_RNA)
where:
Base-Base interactions energy: -162.385
where: short stacking energy: -67.220
Base-Backbone interact. energy: -0.021
local terms energy: -56.170072
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -13.179
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: -11.895
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -212.874747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.874747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.956693 (E_RNA)
where:
Base-Base interactions energy: -155.930
where: short stacking energy: -63.927
Base-Backbone interact. energy: -0.032
local terms energy: -56.994602
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -11.204
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -2.607
tors. eta vs tors. theta energy: -18.254
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: 3
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -207.910720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.910720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.005779 (E_RNA)
where:
Base-Base interactions energy: -144.357
where: short stacking energy: -62.021
Base-Backbone interact. energy: -0.003
local terms energy: -63.646237
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: -14.599
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: 1
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -209.617447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.617447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.700731 (E_RNA)
where:
Base-Base interactions energy: -148.622
where: short stacking energy: -64.729
Base-Backbone interact. energy: -0.280
local terms energy: -60.798930
where:
bonds (distance) C4'-P energy: -9.086
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -17.265
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: 7
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -199.046082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.046082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.126728 (E_RNA)
where:
Base-Base interactions energy: -139.312
where: short stacking energy: -54.958
Base-Backbone interact. energy: -0.008
local terms energy: -59.806499
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -12.150
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -11.680
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -204.310683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.310683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.395343 (E_RNA)
where:
Base-Base interactions energy: -144.222
where: short stacking energy: -56.212
Base-Backbone interact. energy: -0.244
local terms energy: -59.929567
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -12.003
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -11.978
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: 5
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -188.605856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.605856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.606117 (E_RNA)
where:
Base-Base interactions energy: -136.106
where: short stacking energy: -50.481
Base-Backbone interact. energy: -0.190
local terms energy: -59.309820
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -8.899
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -16.834
Dist. restrs. and SS energy: 7.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -181.730093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.730093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.933738 (E_RNA)
where:
Base-Base interactions energy: -128.202
where: short stacking energy: -55.413
Base-Backbone interact. energy: -0.863
local terms energy: -59.869379
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -12.670
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -6.476
tors. eta vs tors. theta energy: -16.292
Dist. restrs. and SS energy: 7.204 (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: 10
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -224.654299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.654299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.654299 (E_RNA)
where:
Base-Base interactions energy: -163.462
where: short stacking energy: -66.329
Base-Backbone interact. energy: -0.018
local terms energy: -61.174759
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: -15.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -212.471576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.471576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.484189 (E_RNA)
where:
Base-Base interactions energy: -153.664
where: short stacking energy: -63.516
Base-Backbone interact. energy: -0.667
local terms energy: -58.152666
where:
bonds (distance) C4'-P energy: -8.555
bonds (distance) P-C4' energy: -9.961
flat angles C4'-P-C4' energy: -11.783
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -16.488
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -209.458817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.458817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.688237 (E_RNA)
where:
Base-Base interactions energy: -142.362
where: short stacking energy: -60.762
Base-Backbone interact. energy: -0.016
local terms energy: -67.309666
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -14.401
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: 4, replica: 6
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -209.978111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.978111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.078457 (E_RNA)
where:
Base-Base interactions energy: -146.207
where: short stacking energy: -58.414
Base-Backbone interact. energy: -0.010
local terms energy: -63.861164
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -11.252
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -209.702947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.702947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.788583 (E_RNA)
where:
Base-Base interactions energy: -149.433
where: short stacking energy: -64.131
Base-Backbone interact. energy: -0.026
local terms energy: -60.329165
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -11.219
flat angles P-C4'-P energy: -5.477
tors. eta vs tors. theta energy: -16.950
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: 3
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -203.882263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.882263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.942069 (E_RNA)
where:
Base-Base interactions energy: -151.530
where: short stacking energy: -63.749
Base-Backbone interact. energy: -0.003
local terms energy: -52.409499
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -3.619
flat angles C4'-P-C4' energy: -10.195
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -18.299
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: 280
Temperature: 1.200000
Total energy: -204.372494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.372494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.541834 (E_RNA)
where:
Base-Base interactions energy: -144.830
where: short stacking energy: -64.740
Base-Backbone interact. energy: -0.087
local terms energy: -59.624417
where:
bonds (distance) C4'-P energy: -10.041
bonds (distance) P-C4' energy: -10.495
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -17.567
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: 7
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -207.374291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.374291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.455219 (E_RNA)
where:
Base-Base interactions energy: -141.847
where: short stacking energy: -59.294
Base-Backbone interact. energy: -0.028
local terms energy: -65.580693
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -14.870
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -179.373213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.373213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.215557 (E_RNA)
where:
Base-Base interactions energy: -128.579
where: short stacking energy: -51.448
Base-Backbone interact. energy: -0.014
local terms energy: -56.623142
where:
bonds (distance) C4'-P energy: -6.191
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -10.780
Dist. restrs. and SS energy: 5.842 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -183.960907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.960907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.123568 (E_RNA)
where:
Base-Base interactions energy: -133.173
where: short stacking energy: -57.559
Base-Backbone interact. energy: -0.047
local terms energy: -57.903823
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -4.534
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -5.429
tors. eta vs tors. theta energy: -18.375
Dist. restrs. and SS energy: 7.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -225.836482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.836482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.836482 (E_RNA)
where:
Base-Base interactions energy: -160.427
where: short stacking energy: -65.964
Base-Backbone interact. energy: 0.188
local terms energy: -65.597663
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -15.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -232.285988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.285988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.285988 (E_RNA)
where:
Base-Base interactions energy: -172.341
where: short stacking energy: -72.957
Base-Backbone interact. energy: -0.021
local terms energy: -59.923578
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -12.337
flat angles P-C4'-P energy: -5.621
tors. eta vs tors. theta energy: -16.375
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -216.772950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.772950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.813345 (E_RNA)
where:
Base-Base interactions energy: -146.231
where: short stacking energy: -58.159
Base-Backbone interact. energy: -0.044
local terms energy: -70.539082
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -17.508
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: 1
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -210.637500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.637500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.941325 (E_RNA)
where:
Base-Base interactions energy: -146.459
where: short stacking energy: -64.528
Base-Backbone interact. energy: -0.006
local terms energy: -64.476377
where:
bonds (distance) C4'-P energy: -8.865
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -8.796
tors. eta vs tors. theta energy: -16.441
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: 5, replica: 6
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -208.969795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.969795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.039435 (E_RNA)
where:
Base-Base interactions energy: -150.271
where: short stacking energy: -63.216
Base-Backbone interact. energy: -0.002
local terms energy: -58.766482
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -9.357
flat angles C4'-P-C4' energy: -12.208
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -15.269
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -205.823039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.823039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.184292 (E_RNA)
where:
Base-Base interactions energy: -136.871
where: short stacking energy: -56.786
Base-Backbone interact. energy: -2.191
local terms energy: -67.122277
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -14.765
Dist. restrs. and SS energy: 0.361 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -198.990494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.990494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.144863 (E_RNA)
where:
Base-Base interactions energy: -142.375
where: short stacking energy: -58.376
Base-Backbone interact. energy: -0.076
local terms energy: -56.694325
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -10.313
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -11.343
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -183.923859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.923859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.753324 (E_RNA)
where:
Base-Base interactions energy: -127.863
where: short stacking energy: -56.889
Base-Backbone interact. energy: -0.029
local terms energy: -62.861989
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -11.092
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -6.744
tors. eta vs tors. theta energy: -15.906
Dist. restrs. and SS energy: 6.829 (S_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: -195.798837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.798837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.911949 (E_RNA)
where:
Base-Base interactions energy: -131.608
where: short stacking energy: -51.068
Base-Backbone interact. energy: -0.018
local terms energy: -64.285261
where:
bonds (distance) C4'-P energy: -10.567
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -15.240
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -172.653058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.653058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.693342 (E_RNA)
where:
Base-Base interactions energy: -131.212
where: short stacking energy: -60.287
Base-Backbone interact. energy: -0.013
local terms energy: -49.468786
where:
bonds (distance) C4'-P energy: -4.473
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -10.266
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -14.421
Dist. restrs. and SS energy: 8.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -231.195765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.195765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.314818 (E_RNA)
where:
Base-Base interactions energy: -171.320
where: short stacking energy: -70.231
Base-Backbone interact. energy: -0.152
local terms energy: -59.843211
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -5.839
tors. eta vs tors. theta energy: -16.420
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: 2, replica: 10
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -226.269661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.269661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.365423 (E_RNA)
where:
Base-Base interactions energy: -165.047
where: short stacking energy: -66.597
Base-Backbone interact. energy: -0.213
local terms energy: -61.106168
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -10.361
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -4.970
tors. eta vs tors. theta energy: -16.545
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: 1
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -211.712259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.712259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.722420 (E_RNA)
where:
Base-Base interactions energy: -150.833
where: short stacking energy: -57.283
Base-Backbone interact. energy: -0.626
local terms energy: -60.263228
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -3.223
tors. eta vs tors. theta energy: -16.775
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: 282
Temperature: 1.050000
Total energy: -218.641506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.641506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.679924 (E_RNA)
where:
Base-Base interactions energy: -151.778
where: short stacking energy: -63.685
Base-Backbone interact. energy: -0.008
local terms energy: -66.893803
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -14.655
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: 282
Temperature: 1.100000
Total energy: -204.656075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.656075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.665521 (E_RNA)
where:
Base-Base interactions energy: -136.564
where: short stacking energy: -58.506
Base-Backbone interact. energy: -0.131
local terms energy: -67.970403
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -14.346
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -212.766415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.766415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.781111 (E_RNA)
where:
Base-Base interactions energy: -147.119
where: short stacking energy: -66.551
Base-Backbone interact. energy: -0.027
local terms energy: -65.634713
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -17.262
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: 282
Temperature: 1.200000
Total energy: -205.107652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.107652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.210635 (E_RNA)
where:
Base-Base interactions energy: -146.560
where: short stacking energy: -57.046
Base-Backbone interact. energy: -0.002
local terms energy: -58.648193
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -11.291
flat angles P-C4'-P energy: -6.002
tors. eta vs tors. theta energy: -15.146
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: 282
Temperature: 1.250000
Total energy: -185.859288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.859288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.250488 (E_RNA)
where:
Base-Base interactions energy: -136.809
where: short stacking energy: -55.424
Base-Backbone interact. energy: -0.030
local terms energy: -56.410630
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -12.359
flat angles P-C4'-P energy: -6.404
tors. eta vs tors. theta energy: -12.716
Dist. restrs. and SS energy: 7.391 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -195.771170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.771170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.827480 (E_RNA)
where:
Base-Base interactions energy: -141.965
where: short stacking energy: -51.482
Base-Backbone interact. energy: -0.041
local terms energy: -53.822037
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -10.625
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -8.903
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: 282
Temperature: 1.350000
Total energy: -177.013382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.013382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.182365 (E_RNA)
where:
Base-Base interactions energy: -125.294
where: short stacking energy: -54.780
Base-Backbone interact. energy: -0.102
local terms energy: -58.785954
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -10.020
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -14.069
Dist. restrs. and SS energy: 7.169 (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: 8
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -239.048197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.048197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.073419 (E_RNA)
where:
Base-Base interactions energy: -174.007
where: short stacking energy: -70.600
Base-Backbone interact. energy: -0.173
local terms energy: -64.893220
where:
bonds (distance) C4'-P energy: -13.492
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -16.887
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -212.844122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.844122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.927223 (E_RNA)
where:
Base-Base interactions energy: -150.928
where: short stacking energy: -55.576
Base-Backbone interact. energy: -0.000
local terms energy: -61.998935
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -4.154
tors. eta vs tors. theta energy: -13.892
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -218.936034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.936034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.960224 (E_RNA)
where:
Base-Base interactions energy: -158.743
where: short stacking energy: -64.386
Base-Backbone interact. energy: -0.001
local terms energy: -60.216323
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -11.196
flat angles P-C4'-P energy: -6.965
tors. eta vs tors. theta energy: -17.139
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: 283
Temperature: 1.050000
Total energy: -215.645411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.645411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.855444 (E_RNA)
where:
Base-Base interactions energy: -147.670
where: short stacking energy: -64.886
Base-Backbone interact. energy: -0.012
local terms energy: -68.173374
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -15.494
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: 283
Temperature: 1.100000
Total energy: -201.358873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.358873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.560345 (E_RNA)
where:
Base-Base interactions energy: -135.736
where: short stacking energy: -53.999
Base-Backbone interact. energy: -0.073
local terms energy: -65.751078
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -12.572
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: 6, replica: 3
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -214.493689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.493689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.670777 (E_RNA)
where:
Base-Base interactions energy: -159.401
where: short stacking energy: -62.057
Base-Backbone interact. energy: -0.329
local terms energy: -54.940480
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -11.168
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: -12.699
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -202.138504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.138504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.234821 (E_RNA)
where:
Base-Base interactions energy: -139.771
where: short stacking energy: -61.241
Base-Backbone interact. energy: -0.076
local terms energy: -62.388204
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -8.591
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: -17.706
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -201.914465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.914465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.938590 (E_RNA)
where:
Base-Base interactions energy: -143.305
where: short stacking energy: -57.583
Base-Backbone interact. energy: -0.099
local terms energy: -58.534564
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -13.550
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -176.280810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.280810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.480733 (E_RNA)
where:
Base-Base interactions energy: -124.725
where: short stacking energy: -54.835
Base-Backbone interact. energy: -0.020
local terms energy: -59.735981
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -5.832
tors. eta vs tors. theta energy: -14.955
Dist. restrs. and SS energy: 8.200 (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: 5
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -171.046110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.046110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.369169 (E_RNA)
where:
Base-Base interactions energy: -126.154
where: short stacking energy: -48.556
Base-Backbone interact. energy: -0.021
local terms energy: -51.193788
where:
bonds (distance) C4'-P energy: -9.247
bonds (distance) P-C4' energy: -8.293
flat angles C4'-P-C4' energy: -10.344
flat angles P-C4'-P energy: -9.304
tors. eta vs tors. theta energy: -14.006
Dist. restrs. and SS energy: 6.323 (S_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: 284
Temperature: 0.900000
Total energy: -237.201938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.201938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.201938 (E_RNA)
where:
Base-Base interactions energy: -173.684
where: short stacking energy: -70.373
Base-Backbone interact. energy: -0.018
local terms energy: -63.499832
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -5.329
tors. eta vs tors. theta energy: -16.315
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -217.187896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.187896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.255961 (E_RNA)
where:
Base-Base interactions energy: -148.804
where: short stacking energy: -59.891
Base-Backbone interact. energy: -0.031
local terms energy: -68.420570
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -15.341
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -226.851611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.851611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.864668 (E_RNA)
where:
Base-Base interactions energy: -165.709
where: short stacking energy: -62.721
Base-Backbone interact. energy: -0.172
local terms energy: -60.983778
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -3.952
tors. eta vs tors. theta energy: -16.367
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: 9
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -210.337910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.337910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.377413 (E_RNA)
where:
Base-Base interactions energy: -147.430
where: short stacking energy: -59.139
Base-Backbone interact. energy: -0.003
local terms energy: -62.944128
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -11.950
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: 284
Temperature: 1.100000
Total energy: -211.940052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.940052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.952767 (E_RNA)
where:
Base-Base interactions energy: -147.539
where: short stacking energy: -64.706
Base-Backbone interact. energy: 0.374
local terms energy: -64.788157
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -10.772
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -17.168
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: 3
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -204.287513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.287513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.397999 (E_RNA)
where:
Base-Base interactions energy: -152.388
where: short stacking energy: -57.706
Base-Backbone interact. energy: -0.233
local terms energy: -51.776209
where:
bonds (distance) C4'-P energy: -6.125
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -2.534
tors. eta vs tors. theta energy: -16.244
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -198.711404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.711404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.860455 (E_RNA)
where:
Base-Base interactions energy: -143.276
where: short stacking energy: -53.555
Base-Backbone interact. energy: -0.026
local terms energy: -55.559003
where:
bonds (distance) C4'-P energy: -10.779
bonds (distance) P-C4' energy: -12.260
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -7.415
tors. eta vs tors. theta energy: -11.712
Dist. restrs. and SS energy: 0.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -210.439095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.439095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.468639 (E_RNA)
where:
Base-Base interactions energy: -143.618
where: short stacking energy: -57.310
Base-Backbone interact. energy: -0.027
local terms energy: -66.823797
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -10.305
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -18.319
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -175.267343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.267343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.627160 (E_RNA)
where:
Base-Base interactions energy: -125.759
where: short stacking energy: -51.028
Base-Backbone interact. energy: 0.714
local terms energy: -58.581752
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -10.520
flat angles C4'-P-C4' energy: -11.050
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: -14.773
Dist. restrs. and SS energy: 8.360 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -175.202492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.202492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.292066 (E_RNA)
where:
Base-Base interactions energy: -126.741
where: short stacking energy: -55.817
Base-Backbone interact. energy: -0.008
local terms energy: -57.542534
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -9.933
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -15.172
Dist. restrs. and SS energy: 9.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -243.892763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.892763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.917139 (E_RNA)
where:
Base-Base interactions energy: -179.114
where: short stacking energy: -75.423
Base-Backbone interact. energy: -0.006
local terms energy: -64.796672
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -5.377
tors. eta vs tors. theta energy: -17.707
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -239.536153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.536153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.796194 (E_RNA)
where:
Base-Base interactions energy: -170.162
where: short stacking energy: -71.248
Base-Backbone interact. energy: -0.452
local terms energy: -69.183039
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -7.091
tors. eta vs tors. theta energy: -19.298
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: 3, replica: 1
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -216.905556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.905556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.917985 (E_RNA)
where:
Base-Base interactions energy: -158.338
where: short stacking energy: -63.637
Base-Backbone interact. energy: -0.000
local terms energy: -58.579291
where:
bonds (distance) C4'-P energy: -8.857
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -12.715
flat angles P-C4'-P energy: -5.867
tors. eta vs tors. theta energy: -17.440
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: 2
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -208.433869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.433869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.531522 (E_RNA)
where:
Base-Base interactions energy: -143.020
where: short stacking energy: -60.384
Base-Backbone interact. energy: -0.001
local terms energy: -65.510543
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -11.679
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -18.646
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -206.577151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.577151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.619777 (E_RNA)
where:
Base-Base interactions energy: -153.017
where: short stacking energy: -60.774
Base-Backbone interact. energy: -0.054
local terms energy: -53.548776
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -8.133
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -12.552
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: 7
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -222.115024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.115024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.120154 (E_RNA)
where:
Base-Base interactions energy: -165.008
where: short stacking energy: -66.196
Base-Backbone interact. energy: -0.015
local terms energy: -57.096872
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -8.954
flat angles C4'-P-C4' energy: -12.645
flat angles P-C4'-P energy: -5.301
tors. eta vs tors. theta energy: -16.458
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: 3
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -203.527299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.527299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.605527 (E_RNA)
where:
Base-Base interactions energy: -146.594
where: short stacking energy: -57.802
Base-Backbone interact. energy: 0.016
local terms energy: -57.027846
where:
bonds (distance) C4'-P energy: -10.145
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -9.066
tors. eta vs tors. theta energy: -13.235
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -198.340058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.340058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.367122 (E_RNA)
where:
Base-Base interactions energy: -142.139
where: short stacking energy: -60.020
Base-Backbone interact. energy: -0.007
local terms energy: -56.220973
where:
bonds (distance) C4'-P energy: -8.364
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -14.652
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -184.426721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.426721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.939466 (E_RNA)
where:
Base-Base interactions energy: -132.146
where: short stacking energy: -55.698
Base-Backbone interact. energy: -0.028
local terms energy: -59.765918
where:
bonds (distance) C4'-P energy: -11.225
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -9.328
tors. eta vs tors. theta energy: -14.297
Dist. restrs. and SS energy: 7.513 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -172.908267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.908267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.655623 (E_RNA)
where:
Base-Base interactions energy: -127.219
where: short stacking energy: -46.860
Base-Backbone interact. energy: -0.002
local terms energy: -53.434290
where:
bonds (distance) C4'-P energy: -10.038
bonds (distance) P-C4' energy: -12.174
flat angles C4'-P-C4' energy: -9.228
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -12.242
Dist. restrs. and SS energy: 7.747 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -232.915641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.915641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.967446 (E_RNA)
where:
Base-Base interactions energy: -171.033
where: short stacking energy: -68.581
Base-Backbone interact. energy: -0.127
local terms energy: -61.807548
where:
bonds (distance) C4'-P energy: -10.266
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -6.313
tors. eta vs tors. theta energy: -18.670
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -235.723729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.723729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.729466 (E_RNA)
where:
Base-Base interactions energy: -168.826
where: short stacking energy: -64.033
Base-Backbone interact. energy: -0.336
local terms energy: -66.568178
where:
bonds (distance) C4'-P energy: -11.345
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -12.261
flat angles P-C4'-P energy: -8.334
tors. eta vs tors. theta energy: -18.641
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -213.614535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.614535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.614535 (E_RNA)
where:
Base-Base interactions energy: -148.467
where: short stacking energy: -56.856
Base-Backbone interact. energy: -0.033
local terms energy: -65.114438
where:
bonds (distance) C4'-P energy: -10.265
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -14.988
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -215.328250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.328250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.352227 (E_RNA)
where:
Base-Base interactions energy: -148.784
where: short stacking energy: -62.774
Base-Backbone interact. energy: -0.000
local terms energy: -66.567855
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -11.091
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -17.846
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -212.169627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.169627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.363702 (E_RNA)
where:
Base-Base interactions energy: -155.503
where: short stacking energy: -65.124
Base-Backbone interact. energy: -0.239
local terms energy: -56.621093
where:
bonds (distance) C4'-P energy: -7.127
bonds (distance) P-C4' energy: -10.137
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -7.597
tors. eta vs tors. theta energy: -17.633
Dist. restrs. and SS energy: 0.194 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -201.295241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.295241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.343371 (E_RNA)
where:
Base-Base interactions energy: -134.466
where: short stacking energy: -54.563
Base-Backbone interact. energy: -0.001
local terms energy: -66.875905
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -13.577
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -205.851776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.851776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.896677 (E_RNA)
where:
Base-Base interactions energy: -143.070
where: short stacking energy: -60.150
Base-Backbone interact. energy: -0.003
local terms energy: -62.823977
where:
bonds (distance) C4'-P energy: -11.131
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -14.157
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -196.852898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.852898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.882168 (E_RNA)
where:
Base-Base interactions energy: -136.602
where: short stacking energy: -57.255
Base-Backbone interact. energy: -0.047
local terms energy: -60.232707
where:
bonds (distance) C4'-P energy: -8.083
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -14.870
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -170.260983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.260983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.658343 (E_RNA)
where:
Base-Base interactions energy: -124.856
where: short stacking energy: -56.723
Base-Backbone interact. energy: -0.536
local terms energy: -53.266208
where:
bonds (distance) C4'-P energy: -11.039
bonds (distance) P-C4' energy: -11.253
flat angles C4'-P-C4' energy: -9.442
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -13.729
Dist. restrs. and SS energy: 8.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -174.413202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.413202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.905302 (E_RNA)
where:
Base-Base interactions energy: -127.977
where: short stacking energy: -51.623
Base-Backbone interact. energy: 0.715
local terms energy: -55.643636
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -6.822
flat angles C4'-P-C4' energy: -12.978
flat angles P-C4'-P energy: -5.529
tors. eta vs tors. theta energy: -16.479
Dist. restrs. and SS energy: 8.492 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -238.042403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.042403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.046717 (E_RNA)
where:
Base-Base interactions energy: -175.054
where: short stacking energy: -72.684
Base-Backbone interact. energy: -0.308
local terms energy: -62.684680
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -3.532
tors. eta vs tors. theta energy: -18.165
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -236.679979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.679979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.686661 (E_RNA)
where:
Base-Base interactions energy: -172.509
where: short stacking energy: -70.063
Base-Backbone interact. energy: -0.649
local terms energy: -63.528987
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -6.463
tors. eta vs tors. theta energy: -16.129
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -220.510399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.510399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.591964 (E_RNA)
where:
Base-Base interactions energy: -157.641
where: short stacking energy: -62.598
Base-Backbone interact. energy: -0.032
local terms energy: -62.919272
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -4.359
tors. eta vs tors. theta energy: -16.895
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: 9
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -209.950202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.950202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.001527 (E_RNA)
where:
Base-Base interactions energy: -145.613
where: short stacking energy: -61.847
Base-Backbone interact. energy: -0.033
local terms energy: -64.355489
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -15.961
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -208.647161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.647161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.651853 (E_RNA)
where:
Base-Base interactions energy: -143.123
where: short stacking energy: -55.455
Base-Backbone interact. energy: -0.002
local terms energy: -65.526622
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -14.122
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -209.010358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.010358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.044798 (E_RNA)
where:
Base-Base interactions energy: -146.844
where: short stacking energy: -55.998
Base-Backbone interact. energy: -0.001
local terms energy: -62.199633
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -13.111
flat angles C4'-P-C4' energy: -14.361
flat angles P-C4'-P energy: -5.909
tors. eta vs tors. theta energy: -15.598
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -209.929791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.929791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.085722 (E_RNA)
where:
Base-Base interactions energy: -144.999
where: short stacking energy: -58.151
Base-Backbone interact. energy: -0.574
local terms energy: -64.512495
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -16.085
Dist. restrs. and SS energy: 0.156 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -178.631636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.631636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.359096 (E_RNA)
where:
Base-Base interactions energy: -133.458
where: short stacking energy: -54.602
Base-Backbone interact. energy: -0.748
local terms energy: -54.153662
where:
bonds (distance) C4'-P energy: -8.065
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -10.632
Dist. restrs. and SS energy: 9.727 (S_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: 287
Temperature: 1.300000
Total energy: -202.145016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.145016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.155179 (E_RNA)
where:
Base-Base interactions energy: -141.605
where: short stacking energy: -59.773
Base-Backbone interact. energy: -0.005
local terms energy: -60.545720
where:
bonds (distance) C4'-P energy: -12.495
bonds (distance) P-C4' energy: -9.842
flat angles C4'-P-C4' energy: -11.524
flat angles P-C4'-P energy: -9.422
tors. eta vs tors. theta energy: -17.262
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -176.609592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.609592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.935423 (E_RNA)
where:
Base-Base interactions energy: -123.096
where: short stacking energy: -53.869
Base-Backbone interact. energy: -0.035
local terms energy: -61.803701
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -9.998
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: -14.457
Dist. restrs. and SS energy: 8.326 (S_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: 288
Temperature: 0.900000
Total energy: -241.768314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.768314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.831980 (E_RNA)
where:
Base-Base interactions energy: -175.122
where: short stacking energy: -72.677
Base-Backbone interact. energy: -0.043
local terms energy: -66.667337
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -13.397
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -7.137
tors. eta vs tors. theta energy: -18.444
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: 10
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -226.273204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.273204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.343063 (E_RNA)
where:
Base-Base interactions energy: -163.943
where: short stacking energy: -63.733
Base-Backbone interact. energy: -0.086
local terms energy: -62.313685
where:
bonds (distance) C4'-P energy: -9.706
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -7.078
tors. eta vs tors. theta energy: -15.140
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -208.997841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.997841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.124309 (E_RNA)
where:
Base-Base interactions energy: -149.947
where: short stacking energy: -64.786
Base-Backbone interact. energy: -0.490
local terms energy: -58.686872
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -11.480
flat angles C4'-P-C4' energy: -12.302
flat angles P-C4'-P energy: -7.409
tors. eta vs tors. theta energy: -15.483
Dist. restrs. and SS energy: 0.126 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -219.935396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.935396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.987155 (E_RNA)
where:
Base-Base interactions energy: -150.270
where: short stacking energy: -62.524
Base-Backbone interact. energy: -0.008
local terms energy: -69.709452
where:
bonds (distance) C4'-P energy: -14.111
bonds (distance) P-C4' energy: -11.736
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -16.941
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -211.554765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.554765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.582027 (E_RNA)
where:
Base-Base interactions energy: -155.178
where: short stacking energy: -60.459
Base-Backbone interact. energy: -0.066
local terms energy: -56.337995
where:
bonds (distance) C4'-P energy: -9.139
bonds (distance) P-C4' energy: -11.099
flat angles C4'-P-C4' energy: -13.527
flat angles P-C4'-P energy: -5.736
tors. eta vs tors. theta energy: -16.837
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: 288
Temperature: 1.150000
Total energy: -209.159565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.159565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.241539 (E_RNA)
where:
Base-Base interactions energy: -147.916
where: short stacking energy: -64.518
Base-Backbone interact. energy: -0.043
local terms energy: -61.282981
where:
bonds (distance) C4'-P energy: -8.195
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -16.673
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: 5
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -187.382225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.382225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.747679 (E_RNA)
where:
Base-Base interactions energy: -136.734
where: short stacking energy: -57.522
Base-Backbone interact. energy: 0.138
local terms energy: -58.152125
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -11.823
flat angles P-C4'-P energy: -7.051
tors. eta vs tors. theta energy: -14.589
Dist. restrs. and SS energy: 7.365 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -194.464057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.464057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.509094 (E_RNA)
where:
Base-Base interactions energy: -143.448
where: short stacking energy: -50.252
Base-Backbone interact. energy: -0.108
local terms energy: -50.953482
where:
bonds (distance) C4'-P energy: -8.740
bonds (distance) P-C4' energy: -11.505
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -10.267
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -172.334292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.334292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.495951 (E_RNA)
where:
Base-Base interactions energy: -133.793
where: short stacking energy: -53.632
Base-Backbone interact. energy: -0.460
local terms energy: -48.243237
where:
bonds (distance) C4'-P energy: -9.399
bonds (distance) P-C4' energy: -5.608
flat angles C4'-P-C4' energy: -10.164
flat angles P-C4'-P energy: -10.873
tors. eta vs tors. theta energy: -12.200
Dist. restrs. and SS energy: 10.162 (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: 3
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -190.038980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.038980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.104335 (E_RNA)
where:
Base-Base interactions energy: -130.223
where: short stacking energy: -51.763
Base-Backbone interact. energy: -0.004
local terms energy: -59.877442
where:
bonds (distance) C4'-P energy: -8.162
bonds (distance) P-C4' energy: -12.023
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -14.689
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: 8
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -235.576705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.576705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.694141 (E_RNA)
where:
Base-Base interactions energy: -169.511
where: short stacking energy: -64.381
Base-Backbone interact. energy: -0.008
local terms energy: -66.175091
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -5.352
tors. eta vs tors. theta energy: -17.416
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -223.554906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.554906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.666794 (E_RNA)
where:
Base-Base interactions energy: -159.720
where: short stacking energy: -61.087
Base-Backbone interact. energy: -0.156
local terms energy: -63.790798
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -5.400
tors. eta vs tors. theta energy: -14.781
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -213.693916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.693916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.706880 (E_RNA)
where:
Base-Base interactions energy: -147.455
where: short stacking energy: -63.583
Base-Backbone interact. energy: -0.127
local terms energy: -66.124697
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -17.679
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -211.801632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.801632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.858101 (E_RNA)
where:
Base-Base interactions energy: -146.146
where: short stacking energy: -58.453
Base-Backbone interact. energy: -0.146
local terms energy: -65.566282
where:
bonds (distance) C4'-P energy: -9.655
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -16.452
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: 289
Temperature: 1.100000
Total energy: -211.931847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.931847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.931847 (E_RNA)
where:
Base-Base interactions energy: -155.470
where: short stacking energy: -64.062
Base-Backbone interact. energy: -0.015
local terms energy: -56.446518
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -9.095
flat angles P-C4'-P energy: -6.216
tors. eta vs tors. theta energy: -15.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -212.001635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.001635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.059853 (E_RNA)
where:
Base-Base interactions energy: -153.042
where: short stacking energy: -66.769
Base-Backbone interact. energy: -0.002
local terms energy: -59.016220
where:
bonds (distance) C4'-P energy: -8.215
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -13.406
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -17.470
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: 289
Temperature: 1.200000
Total energy: -204.895301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.895301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.585830 (E_RNA)
where:
Base-Base interactions energy: -147.530
where: short stacking energy: -65.820
Base-Backbone interact. energy: -0.009
local terms energy: -64.046500
where:
bonds (distance) C4'-P energy: -9.519
bonds (distance) P-C4' energy: -10.918
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -19.850
Dist. restrs. and SS energy: 6.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -178.475967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.475967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.478424 (E_RNA)
where:
Base-Base interactions energy: -127.359
where: short stacking energy: -57.495
Base-Backbone interact. energy: -0.001
local terms energy: -58.118524
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -6.476
tors. eta vs tors. theta energy: -13.306
Dist. restrs. and SS energy: 7.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -199.536229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.536229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.557837 (E_RNA)
where:
Base-Base interactions energy: -141.474
where: short stacking energy: -54.197
Base-Backbone interact. energy: -0.004
local terms energy: -58.079365
where:
bonds (distance) C4'-P energy: -7.375
bonds (distance) P-C4' energy: -10.973
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -15.194
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: 3
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -201.496154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.496154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.656445 (E_RNA)
where:
Base-Base interactions energy: -142.280
where: short stacking energy: -54.759
Base-Backbone interact. energy: -0.000
local terms energy: -59.376840
where:
bonds (distance) C4'-P energy: -10.216
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -10.794
flat angles P-C4'-P energy: -8.299
tors. eta vs tors. theta energy: -15.140
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: 290
Temperature: 0.900000
Total energy: -229.629568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.629568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.810790 (E_RNA)
where:
Base-Base interactions energy: -166.776
where: short stacking energy: -64.326
Base-Backbone interact. energy: -0.155
local terms energy: -62.879397
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -12.815
flat angles C4'-P-C4' energy: -12.205
flat angles P-C4'-P energy: -6.172
tors. eta vs tors. theta energy: -17.593
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: 2, replica: 10
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -219.669672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.669672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.702633 (E_RNA)
where:
Base-Base interactions energy: -161.096
where: short stacking energy: -60.517
Base-Backbone interact. energy: -0.044
local terms energy: -58.563323
where:
bonds (distance) C4'-P energy: -12.823
bonds (distance) P-C4' energy: -12.598
flat angles C4'-P-C4' energy: -12.853
flat angles P-C4'-P energy: -4.812
tors. eta vs tors. theta energy: -15.477
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: 2
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -216.635331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.635331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.635331 (E_RNA)
where:
Base-Base interactions energy: -154.270
where: short stacking energy: -62.116
Base-Backbone interact. energy: -0.044
local terms energy: -62.321202
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -10.461
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: -15.210
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -218.394739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.394739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.471075 (E_RNA)
where:
Base-Base interactions energy: -150.716
where: short stacking energy: -65.317
Base-Backbone interact. energy: -0.003
local terms energy: -67.752509
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -12.988
flat angles C4'-P-C4' energy: -10.931
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -20.591
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: 6
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -211.604610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.604610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.611037 (E_RNA)
where:
Base-Base interactions energy: -152.692
where: short stacking energy: -59.635
Base-Backbone interact. energy: -0.070
local terms energy: -58.849352
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -3.148
tors. eta vs tors. theta energy: -15.855
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: 1
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -201.856246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.856246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.875050 (E_RNA)
where:
Base-Base interactions energy: -141.836
where: short stacking energy: -60.418
Base-Backbone interact. energy: -0.001
local terms energy: -60.038116
where:
bonds (distance) C4'-P energy: -7.159
bonds (distance) P-C4' energy: -12.950
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -15.568
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -182.150737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.150737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.364765 (E_RNA)
where:
Base-Base interactions energy: -131.979
where: short stacking energy: -54.919
Base-Backbone interact. energy: -0.241
local terms energy: -58.144755
where:
bonds (distance) C4'-P energy: -8.662
bonds (distance) P-C4' energy: -13.186
flat angles C4'-P-C4' energy: -10.066
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -15.292
Dist. restrs. and SS energy: 8.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -186.684662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.684662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.499562 (E_RNA)
where:
Base-Base interactions energy: -129.451
where: short stacking energy: -53.447
Base-Backbone interact. energy: -0.005
local terms energy: -64.043135
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -12.615
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -14.971
Dist. restrs. and SS energy: 6.815 (S_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: 290
Temperature: 1.300000
Total energy: -198.534605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.534605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.606771 (E_RNA)
where:
Base-Base interactions energy: -145.302
where: short stacking energy: -54.575
Base-Backbone interact. energy: 0.616
local terms energy: -53.920043
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -9.116
flat angles P-C4'-P energy: -5.214
tors. eta vs tors. theta energy: -13.613
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: 7
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -193.295957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.295957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.459393 (E_RNA)
where:
Base-Base interactions energy: -133.597
where: short stacking energy: -50.921
Base-Backbone interact. energy: -0.227
local terms energy: -59.635427
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -7.980
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -14.815
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: 8
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -237.315861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.315861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.416982 (E_RNA)
where:
Base-Base interactions energy: -169.598
where: short stacking energy: -64.453
Base-Backbone interact. energy: -0.048
local terms energy: -67.771043
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -5.775
tors. eta vs tors. theta energy: -20.726
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -218.756142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.756142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.765536 (E_RNA)
where:
Base-Base interactions energy: -154.851
where: short stacking energy: -63.966
Base-Backbone interact. energy: -0.002
local terms energy: -63.912757
where:
bonds (distance) C4'-P energy: -12.230
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -15.528
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -221.561246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.561246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.570336 (E_RNA)
where:
Base-Base interactions energy: -157.836
where: short stacking energy: -61.985
Base-Backbone interact. energy: 0.538
local terms energy: -64.271756
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -13.321
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -12.758
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -223.773057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.773057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.782565 (E_RNA)
where:
Base-Base interactions energy: -165.391
where: short stacking energy: -65.997
Base-Backbone interact. energy: -0.002
local terms energy: -58.389590
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -12.701
flat angles P-C4'-P energy: -3.831
tors. eta vs tors. theta energy: -14.525
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: 9
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -213.966838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.966838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.070406 (E_RNA)
where:
Base-Base interactions energy: -144.772
where: short stacking energy: -64.658
Base-Backbone interact. energy: -0.035
local terms energy: -69.264009
where:
bonds (distance) C4'-P energy: -11.042
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -20.100
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -190.019117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.019117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.625734 (E_RNA)
where:
Base-Base interactions energy: -142.601
where: short stacking energy: -64.860
Base-Backbone interact. energy: -0.141
local terms energy: -55.883568
where:
bonds (distance) C4'-P energy: -7.515
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -12.634
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: -14.747
Dist. restrs. and SS energy: 8.607 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -210.006829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.006829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.124293 (E_RNA)
where:
Base-Base interactions energy: -148.636
where: short stacking energy: -55.027
Base-Backbone interact. energy: -0.065
local terms energy: -61.422887
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -11.906
flat angles P-C4'-P energy: -6.333
tors. eta vs tors. theta energy: -14.436
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: 3
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -218.709475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.709475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.732721 (E_RNA)
where:
Base-Base interactions energy: -167.599
where: short stacking energy: -67.836
Base-Backbone interact. energy: -0.584
local terms energy: -50.550076
where:
bonds (distance) C4'-P energy: -9.698
bonds (distance) P-C4' energy: -8.822
flat angles C4'-P-C4' energy: -7.068
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -17.792
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -173.211329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.211329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.513016 (E_RNA)
where:
Base-Base interactions energy: -127.650
where: short stacking energy: -56.724
Base-Backbone interact. energy: -0.001
local terms energy: -51.861628
where:
bonds (distance) C4'-P energy: -8.198
bonds (distance) P-C4' energy: -11.273
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -7.077
tors. eta vs tors. theta energy: -13.386
Dist. restrs. and SS energy: 6.302 (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: 7
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -197.493980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.493980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.273944 (E_RNA)
where:
Base-Base interactions energy: -136.535
where: short stacking energy: -56.316
Base-Backbone interact. energy: -0.189
local terms energy: -61.550071
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -11.568
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -14.225
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: 1, replica: 2
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -218.727945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.727945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.727945 (E_RNA)
where:
Base-Base interactions energy: -150.206
where: short stacking energy: -63.607
Base-Backbone interact. energy: -0.001
local terms energy: -68.520402
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -18.513
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -226.450328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.450328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.542134 (E_RNA)
where:
Base-Base interactions energy: -169.507
where: short stacking energy: -65.936
Base-Backbone interact. energy: -0.027
local terms energy: -57.007428
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -8.862
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -5.223
tors. eta vs tors. theta energy: -13.464
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -209.213575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.213575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.292550 (E_RNA)
where:
Base-Base interactions energy: -144.809
where: short stacking energy: -57.548
Base-Backbone interact. energy: -0.106
local terms energy: -64.376685
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -13.074
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -12.408
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: 6
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -217.282833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.282833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.299047 (E_RNA)
where:
Base-Base interactions energy: -154.260
where: short stacking energy: -62.637
Base-Backbone interact. energy: -0.007
local terms energy: -63.031498
where:
bonds (distance) C4'-P energy: -9.751
bonds (distance) P-C4' energy: -11.452
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -14.909
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -214.672621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.672621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.672621 (E_RNA)
where:
Base-Base interactions energy: -155.234
where: short stacking energy: -59.339
Base-Backbone interact. energy: -0.562
local terms energy: -58.876583
where:
bonds (distance) C4'-P energy: -6.940
bonds (distance) P-C4' energy: -12.481
flat angles C4'-P-C4' energy: -15.690
flat angles P-C4'-P energy: -7.988
tors. eta vs tors. theta energy: -15.778
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: 6, replica: 4
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -192.471492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.471492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.848947 (E_RNA)
where:
Base-Base interactions energy: -134.844
where: short stacking energy: -61.610
Base-Backbone interact. energy: -0.167
local terms energy: -63.837645
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -10.802
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -18.064
Dist. restrs. and SS energy: 6.377 (S_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: 292
Temperature: 1.200000
Total energy: -204.550561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.550561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.563985 (E_RNA)
where:
Base-Base interactions energy: -156.150
where: short stacking energy: -57.171
Base-Backbone interact. energy: -0.072
local terms energy: -48.341724
where:
bonds (distance) C4'-P energy: -8.828
bonds (distance) P-C4' energy: -9.646
flat angles C4'-P-C4' energy: -11.615
flat angles P-C4'-P energy: -2.295
tors. eta vs tors. theta energy: -15.957
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: 1
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -202.272573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.272573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.398056 (E_RNA)
where:
Base-Base interactions energy: -135.309
where: short stacking energy: -55.236
Base-Backbone interact. energy: -0.035
local terms energy: -67.053828
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -12.161
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: 292
Temperature: 1.300000
Total energy: -194.510326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.510326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.608971 (E_RNA)
where:
Base-Base interactions energy: -131.262
where: short stacking energy: -51.384
Base-Backbone interact. energy: -0.070
local terms energy: -63.276721
where:
bonds (distance) C4'-P energy: -12.661
bonds (distance) P-C4' energy: -13.054
flat angles C4'-P-C4' energy: -10.328
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -16.797
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -168.166973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.166973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.681385 (E_RNA)
where:
Base-Base interactions energy: -118.628
where: short stacking energy: -46.235
Base-Backbone interact. energy: -1.439
local terms energy: -56.613956
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -11.715
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: -10.665
Dist. restrs. and SS energy: 8.514 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -221.173676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.173676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.194209 (E_RNA)
where:
Base-Base interactions energy: -154.162
where: short stacking energy: -63.771
Base-Backbone interact. energy: -0.001
local terms energy: -67.031556
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -10.714
flat angles P-C4'-P energy: -9.348
tors. eta vs tors. theta energy: -18.704
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: 293
Temperature: 0.950000
Total energy: -236.664094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.664094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.073508 (E_RNA)
where:
Base-Base interactions energy: -171.278
where: short stacking energy: -71.141
Base-Backbone interact. energy: -0.001
local terms energy: -65.793913
where:
bonds (distance) C4'-P energy: -11.779
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -4.172
tors. eta vs tors. theta energy: -18.039
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: 3, replica: 10
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -217.993145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.993145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.242978 (E_RNA)
where:
Base-Base interactions energy: -150.580
where: short stacking energy: -65.652
Base-Backbone interact. energy: -0.002
local terms energy: -67.660965
where:
bonds (distance) C4'-P energy: -12.768
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -16.072
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: 4, replica: 9
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -224.398109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.398109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.420131 (E_RNA)
where:
Base-Base interactions energy: -163.778
where: short stacking energy: -66.606
Base-Backbone interact. energy: -0.724
local terms energy: -59.917723
where:
bonds (distance) C4'-P energy: -9.894
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: -14.728
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: 293
Temperature: 1.100000
Total energy: -211.599985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.599985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.637860 (E_RNA)
where:
Base-Base interactions energy: -154.471
where: short stacking energy: -59.553
Base-Backbone interact. energy: -0.000
local terms energy: -57.166984
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -11.523
flat angles C4'-P-C4' energy: -11.599
flat angles P-C4'-P energy: -4.766
tors. eta vs tors. theta energy: -14.764
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -202.562464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.562464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.685143 (E_RNA)
where:
Base-Base interactions energy: -140.547
where: short stacking energy: -53.288
Base-Backbone interact. energy: -0.253
local terms energy: -61.884879
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -15.006
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: 293
Temperature: 1.200000
Total energy: -182.526606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.526606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.065517 (E_RNA)
where:
Base-Base interactions energy: -133.999
where: short stacking energy: -56.258
Base-Backbone interact. energy: -0.853
local terms energy: -55.213477
where:
bonds (distance) C4'-P energy: -6.162
bonds (distance) P-C4' energy: -11.605
flat angles C4'-P-C4' energy: -11.711
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -16.395
Dist. restrs. and SS energy: 7.539 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -203.426611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.426611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.448298 (E_RNA)
where:
Base-Base interactions energy: -142.572
where: short stacking energy: -61.629
Base-Backbone interact. energy: -0.002
local terms energy: -60.874927
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -9.847
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -15.646
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: 7
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -197.656387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.656387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.733487 (E_RNA)
where:
Base-Base interactions energy: -140.239
where: short stacking energy: -60.635
Base-Backbone interact. energy: -0.291
local terms energy: -57.203613
where:
bonds (distance) C4'-P energy: -9.544
bonds (distance) P-C4' energy: -10.960
flat angles C4'-P-C4' energy: -11.819
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -14.846
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: 5
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -186.592874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.592874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.333705 (E_RNA)
where:
Base-Base interactions energy: -128.270
where: short stacking energy: -58.189
Base-Backbone interact. energy: -0.624
local terms energy: -66.439361
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -14.195
Dist. restrs. and SS energy: 8.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -235.466157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.466157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.466157 (E_RNA)
where:
Base-Base interactions energy: -168.785
where: short stacking energy: -70.642
Base-Backbone interact. energy: -0.418
local terms energy: -66.264030
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -13.120
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -17.781
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -215.333918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.333918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.415304 (E_RNA)
where:
Base-Base interactions energy: -149.164
where: short stacking energy: -61.782
Base-Backbone interact. energy: -0.001
local terms energy: -66.250640
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -10.979
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -17.369
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -228.858730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.858730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.872525 (E_RNA)
where:
Base-Base interactions energy: -169.958
where: short stacking energy: -67.715
Base-Backbone interact. energy: -0.012
local terms energy: -58.903265
where:
bonds (distance) C4'-P energy: -10.380
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -13.038
flat angles P-C4'-P energy: -5.289
tors. eta vs tors. theta energy: -15.744
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -210.385146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.385146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.593557 (E_RNA)
where:
Base-Base interactions energy: -146.588
where: short stacking energy: -61.974
Base-Backbone interact. energy: -0.001
local terms energy: -64.003909
where:
bonds (distance) C4'-P energy: -11.903
bonds (distance) P-C4' energy: -10.694
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -17.412
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: 5, replica: 3
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -205.281987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.281987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.329492 (E_RNA)
where:
Base-Base interactions energy: -141.534
where: short stacking energy: -56.379
Base-Backbone interact. energy: 1.999
local terms energy: -65.794135
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -16.664
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: 294
Temperature: 1.150000
Total energy: -203.669470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.669470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.815490 (E_RNA)
where:
Base-Base interactions energy: -145.531
where: short stacking energy: -54.745
Base-Backbone interact. energy: -0.105
local terms energy: -58.179465
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -10.910
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -9.010
tors. eta vs tors. theta energy: -14.129
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -204.424115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.424115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.437580 (E_RNA)
where:
Base-Base interactions energy: -152.794
where: short stacking energy: -57.798
Base-Backbone interact. energy: -0.478
local terms energy: -51.165576
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -10.256
flat angles C4'-P-C4' energy: -10.650
flat angles P-C4'-P energy: -6.144
tors. eta vs tors. theta energy: -11.176
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -194.135837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.135837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.464336 (E_RNA)
where:
Base-Base interactions energy: -141.125
where: short stacking energy: -54.691
Base-Backbone interact. energy: -0.056
local terms energy: -60.283574
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -11.470
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -15.884
Dist. restrs. and SS energy: 7.328 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -203.007226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.007226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.099899 (E_RNA)
where:
Base-Base interactions energy: -148.996
where: short stacking energy: -55.949
Base-Backbone interact. energy: 1.005
local terms energy: -55.109036
where:
bonds (distance) C4'-P energy: -10.071
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -3.956
tors. eta vs tors. theta energy: -13.669
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -172.810316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.810316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.751587 (E_RNA)
where:
Base-Base interactions energy: -123.687
where: short stacking energy: -53.090
Base-Backbone interact. energy: -0.126
local terms energy: -56.938673
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -10.780
flat angles C4'-P-C4' energy: -10.145
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -13.791
Dist. restrs. and SS energy: 7.941 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -240.360064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.360064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.403153 (E_RNA)
where:
Base-Base interactions energy: -177.298
where: short stacking energy: -69.267
Base-Backbone interact. energy: -0.011
local terms energy: -63.094020
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -15.578
flat angles P-C4'-P energy: -2.650
tors. eta vs tors. theta energy: -17.951
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: 2
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -219.225327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.225327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.225327 (E_RNA)
where:
Base-Base interactions energy: -150.967
where: short stacking energy: -62.467
Base-Backbone interact. energy: -0.001
local terms energy: -68.257662
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -15.256
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -14.481
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: 3, replica: 9
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -232.546645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.546645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.546645 (E_RNA)
where:
Base-Base interactions energy: -168.062
where: short stacking energy: -66.229
Base-Backbone interact. energy: -0.013
local terms energy: -64.471308
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -14.269
flat angles C4'-P-C4' energy: -16.180
flat angles P-C4'-P energy: -5.684
tors. eta vs tors. theta energy: -16.459
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -212.816911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.816911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.927278 (E_RNA)
where:
Base-Base interactions energy: -145.916
where: short stacking energy: -57.362
Base-Backbone interact. energy: -0.001
local terms energy: -67.009734
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: -16.352
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: 10
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -205.693331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.693331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.752293 (E_RNA)
where:
Base-Base interactions energy: -144.020
where: short stacking energy: -60.705
Base-Backbone interact. energy: -0.089
local terms energy: -61.644037
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -14.458
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -215.886120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.886120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.923089 (E_RNA)
where:
Base-Base interactions energy: -161.464
where: short stacking energy: -63.409
Base-Backbone interact. energy: -0.062
local terms energy: -54.397587
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -10.723
flat angles P-C4'-P energy: -3.855
tors. eta vs tors. theta energy: -14.645
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: 295
Temperature: 1.200000
Total energy: -202.035760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.035760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.083087 (E_RNA)
where:
Base-Base interactions energy: -141.411
where: short stacking energy: -57.977
Base-Backbone interact. energy: -0.431
local terms energy: -60.241305
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -11.152
flat angles C4'-P-C4' energy: -11.806
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -14.248
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: 7
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -193.557499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.557499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.772124 (E_RNA)
where:
Base-Base interactions energy: -130.860
where: short stacking energy: -51.005
Base-Backbone interact. energy: -0.295
local terms energy: -62.616802
where:
bonds (distance) C4'-P energy: -14.420
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -6.124
tors. eta vs tors. theta energy: -15.426
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: 9, replica: 4
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -180.572726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.572726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.533187 (E_RNA)
where:
Base-Base interactions energy: -124.834
where: short stacking energy: -51.106
Base-Backbone interact. energy: -0.357
local terms energy: -62.342610
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -12.948
flat angles C4'-P-C4' energy: -10.071
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -15.923
Dist. restrs. and SS energy: 6.960 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -178.913403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.913403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.510330 (E_RNA)
where:
Base-Base interactions energy: -131.907
where: short stacking energy: -64.006
Base-Backbone interact. energy: -0.516
local terms energy: -55.087422
where:
bonds (distance) C4'-P energy: -6.443
bonds (distance) P-C4' energy: -7.417
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -18.417
Dist. restrs. and SS energy: 8.597 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -237.716434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.716434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.793224 (E_RNA)
where:
Base-Base interactions energy: -175.131
where: short stacking energy: -71.722
Base-Backbone interact. energy: -0.003
local terms energy: -62.659968
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -4.515
tors. eta vs tors. theta energy: -15.448
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -216.645176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.645176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.818654 (E_RNA)
where:
Base-Base interactions energy: -157.007
where: short stacking energy: -66.239
Base-Backbone interact. energy: -0.000
local terms energy: -59.811658
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -13.303
Dist. restrs. and SS energy: 0.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -214.675193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.675193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.677996 (E_RNA)
where:
Base-Base interactions energy: -157.200
where: short stacking energy: -60.300
Base-Backbone interact. energy: -0.033
local terms energy: -57.445646
where:
bonds (distance) C4'-P energy: -10.226
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -4.767
tors. eta vs tors. theta energy: -15.193
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -205.914322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.914322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.006845 (E_RNA)
where:
Base-Base interactions energy: -140.176
where: short stacking energy: -50.705
Base-Backbone interact. energy: -0.904
local terms energy: -64.927044
where:
bonds (distance) C4'-P energy: -14.512
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -14.143
flat angles P-C4'-P energy: -6.061
tors. eta vs tors. theta energy: -15.117
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -213.474408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.474408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.492696 (E_RNA)
where:
Base-Base interactions energy: -151.905
where: short stacking energy: -61.396
Base-Backbone interact. energy: -0.078
local terms energy: -61.508979
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -10.963
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -13.898
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -221.465058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.465058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.537960 (E_RNA)
where:
Base-Base interactions energy: -159.742
where: short stacking energy: -64.483
Base-Backbone interact. energy: -0.430
local terms energy: -61.365695
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -5.782
tors. eta vs tors. theta energy: -13.996
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: 296
Temperature: 1.200000
Total energy: -204.803944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.803944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.030027 (E_RNA)
where:
Base-Base interactions energy: -145.902
where: short stacking energy: -57.888
Base-Backbone interact. energy: -0.008
local terms energy: -59.120583
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -10.495
flat angles P-C4'-P energy: -6.922
tors. eta vs tors. theta energy: -13.240
Dist. restrs. and SS energy: 0.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -200.524752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.524752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.758130 (E_RNA)
where:
Base-Base interactions energy: -141.247
where: short stacking energy: -57.146
Base-Backbone interact. energy: -0.033
local terms energy: -59.477497
where:
bonds (distance) C4'-P energy: -6.764
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -11.584
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -15.983
Dist. restrs. and SS energy: 0.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -182.533594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.533594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.956632 (E_RNA)
where:
Base-Base interactions energy: -132.638
where: short stacking energy: -54.172
Base-Backbone interact. energy: -0.005
local terms energy: -57.313967
where:
bonds (distance) C4'-P energy: -6.315
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -15.319
Dist. restrs. and SS energy: 7.423 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -186.318632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.318632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.140743 (E_RNA)
where:
Base-Base interactions energy: -137.079
where: short stacking energy: -61.861
Base-Backbone interact. energy: -0.054
local terms energy: -57.007733
where:
bonds (distance) C4'-P energy: -10.441
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -12.586
flat angles P-C4'-P energy: -4.459
tors. eta vs tors. theta energy: -14.642
Dist. restrs. and SS energy: 7.822 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -232.466291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.466291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.466291 (E_RNA)
where:
Base-Base interactions energy: -171.723
where: short stacking energy: -70.132
Base-Backbone interact. energy: -0.041
local terms energy: -60.702201
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -5.586
tors. eta vs tors. theta energy: -14.569
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -218.359922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.359922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.433438 (E_RNA)
where:
Base-Base interactions energy: -152.919
where: short stacking energy: -63.043
Base-Backbone interact. energy: -0.006
local terms energy: -65.508435
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -16.150
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -214.965748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.965748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.997824 (E_RNA)
where:
Base-Base interactions energy: -150.728
where: short stacking energy: -62.678
Base-Backbone interact. energy: -0.041
local terms energy: -64.228969
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -17.801
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: 1
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -227.952259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.952259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.952259 (E_RNA)
where:
Base-Base interactions energy: -163.162
where: short stacking energy: -61.288
Base-Backbone interact. energy: -0.056
local terms energy: -64.734586
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -5.267
tors. eta vs tors. theta energy: -16.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -207.183458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.183458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.214566 (E_RNA)
where:
Base-Base interactions energy: -146.797
where: short stacking energy: -58.441
Base-Backbone interact. energy: -0.101
local terms energy: -60.316066
where:
bonds (distance) C4'-P energy: -13.890
bonds (distance) P-C4' energy: -12.396
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -5.338
tors. eta vs tors. theta energy: -15.055
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: 10
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -220.646648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.646648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.666910 (E_RNA)
where:
Base-Base interactions energy: -166.629
where: short stacking energy: -67.036
Base-Backbone interact. energy: 1.700
local terms energy: -55.737674
where:
bonds (distance) C4'-P energy: -10.633
bonds (distance) P-C4' energy: -9.544
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -5.794
tors. eta vs tors. theta energy: -16.125
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -202.845870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.845870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.884149 (E_RNA)
where:
Base-Base interactions energy: -138.621
where: short stacking energy: -55.759
Base-Backbone interact. energy: -0.095
local terms energy: -64.167238
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -15.764
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -174.259090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.259090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.830584 (E_RNA)
where:
Base-Base interactions energy: -123.673
where: short stacking energy: -52.357
Base-Backbone interact. energy: -0.617
local terms energy: -57.539838
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -12.988
flat angles C4'-P-C4' energy: -10.385
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -13.296
Dist. restrs. and SS energy: 7.571 (S_DIST_RNA)
chem. 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: -209.717687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.717687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.792848 (E_RNA)
where:
Base-Base interactions energy: -157.285
where: short stacking energy: -65.520
Base-Backbone interact. energy: -0.349
local terms energy: -52.158324
where:
bonds (distance) C4'-P energy: -7.161
bonds (distance) P-C4' energy: -12.295
flat angles C4'-P-C4' energy: -10.069
flat angles P-C4'-P energy: -5.253
tors. eta vs tors. theta energy: -17.380
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: 5
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -168.335999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.335999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.292813 (E_RNA)
where:
Base-Base interactions energy: -120.461
where: short stacking energy: -53.249
Base-Backbone interact. energy: -0.033
local terms energy: -54.798920
where:
bonds (distance) C4'-P energy: -10.417
bonds (distance) P-C4' energy: -7.963
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: -12.911
Dist. restrs. and SS energy: 6.957 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -239.061524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.061524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.061524 (E_RNA)
where:
Base-Base interactions energy: -174.834
where: short stacking energy: -70.891
Base-Backbone interact. energy: -0.028
local terms energy: -64.199495
where:
bonds (distance) C4'-P energy: -11.620
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -6.678
tors. eta vs tors. theta energy: -16.705
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: 2, replica: 3
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -213.561671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.561671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.597613 (E_RNA)
where:
Base-Base interactions energy: -149.561
where: short stacking energy: -60.558
Base-Backbone interact. energy: -0.152
local terms energy: -63.884653
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -12.297
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -15.440
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -220.234929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.234929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.333577 (E_RNA)
where:
Base-Base interactions energy: -158.197
where: short stacking energy: -61.312
Base-Backbone interact. energy: -0.006
local terms energy: -62.130639
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -5.155
tors. eta vs tors. theta energy: -14.480
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -214.487274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.487274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.524384 (E_RNA)
where:
Base-Base interactions energy: -148.214
where: short stacking energy: -59.543
Base-Backbone interact. energy: 0.611
local terms energy: -66.922176
where:
bonds (distance) C4'-P energy: -9.478
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -17.507
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: 5, replica: 10
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -220.381375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.381375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.483401 (E_RNA)
where:
Base-Base interactions energy: -159.051
where: short stacking energy: -58.712
Base-Backbone interact. energy: -0.548
local terms energy: -60.885195
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -4.555
tors. eta vs tors. theta energy: -14.874
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: 9
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -202.987098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.987098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.011082 (E_RNA)
where:
Base-Base interactions energy: -145.877
where: short stacking energy: -54.823
Base-Backbone interact. energy: 0.194
local terms energy: -57.328916
where:
bonds (distance) C4'-P energy: -9.081
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -10.979
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -202.079729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.079729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.185341 (E_RNA)
where:
Base-Base interactions energy: -140.200
where: short stacking energy: -60.463
Base-Backbone interact. energy: -0.168
local terms energy: -61.816920
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -10.762
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -13.632
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: 298
Temperature: 1.250000
Total energy: -183.283820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.283820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.485916 (E_RNA)
where:
Base-Base interactions energy: -138.412
where: short stacking energy: -58.254
Base-Backbone interact. energy: -1.304
local terms energy: -50.769448
where:
bonds (distance) C4'-P energy: -9.806
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -11.276
flat angles P-C4'-P energy: -3.601
tors. eta vs tors. theta energy: -12.718
Dist. restrs. and SS energy: 7.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -176.698847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.698847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.510283 (E_RNA)
where:
Base-Base interactions energy: -125.716
where: short stacking energy: -52.246
Base-Backbone interact. energy: -0.053
local terms energy: -58.741174
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -12.244
flat angles C4'-P-C4' energy: -15.054
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -10.884
Dist. restrs. and SS energy: 7.811 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -191.621349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.621349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.018838 (E_RNA)
where:
Base-Base interactions energy: -127.857
where: short stacking energy: -54.914
Base-Backbone interact. energy: -0.001
local terms energy: -64.161193
where:
bonds (distance) C4'-P energy: -10.133
bonds (distance) P-C4' energy: -13.787
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -18.418
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: 299
Temperature: 0.900000
Total energy: -233.160228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.160228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.185598 (E_RNA)
where:
Base-Base interactions energy: -167.588
where: short stacking energy: -66.467
Base-Backbone interact. energy: -0.022
local terms energy: -65.574931
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -3.704
tors. eta vs tors. theta energy: -16.934
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -227.612101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.612101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.615111 (E_RNA)
where:
Base-Base interactions energy: -168.430
where: short stacking energy: -67.225
Base-Backbone interact. energy: -0.028
local terms energy: -59.157335
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -11.489
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -4.830
tors. eta vs tors. theta energy: -16.256
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: 3
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -201.909073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.909073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.926309 (E_RNA)
where:
Base-Base interactions energy: -134.961
where: short stacking energy: -56.266
Base-Backbone interact. energy: -0.165
local terms energy: -66.799987
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -11.904
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -219.329477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.329477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.349576 (E_RNA)
where:
Base-Base interactions energy: -162.897
where: short stacking energy: -61.385
Base-Backbone interact. energy: -0.036
local terms energy: -56.415629
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -10.191
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -5.646
tors. eta vs tors. theta energy: -15.450
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: 299
Temperature: 1.100000
Total energy: -207.949066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.949066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.964663 (E_RNA)
where:
Base-Base interactions energy: -149.191
where: short stacking energy: -55.844
Base-Backbone interact. energy: -0.294
local terms energy: -58.479645
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -10.312
flat angles P-C4'-P energy: -5.557
tors. eta vs tors. theta energy: -15.878
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -218.052650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.052650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.079616 (E_RNA)
where:
Base-Base interactions energy: -161.093
where: short stacking energy: -64.751
Base-Backbone interact. energy: -0.178
local terms energy: -56.808530
where:
bonds (distance) C4'-P energy: -10.421
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -4.274
tors. eta vs tors. theta energy: -15.266
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -196.188427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.188427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.191404 (E_RNA)
where:
Base-Base interactions energy: -140.085
where: short stacking energy: -59.373
Base-Backbone interact. energy: 0.377
local terms energy: -56.482855
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -9.446
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -7.637
tors. eta vs tors. theta energy: -14.880
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -185.677477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.677477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.571579 (E_RNA)
where:
Base-Base interactions energy: -131.919
where: short stacking energy: -57.415
Base-Backbone interact. energy: -1.001
local terms energy: -59.651861
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -10.842
flat angles C4'-P-C4' energy: -11.836
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -14.805
Dist. restrs. and SS energy: 6.894 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -178.965582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.965582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.849006 (E_RNA)
where:
Base-Base interactions energy: -129.142
where: short stacking energy: -55.296
Base-Backbone interact. energy: -0.506
local terms energy: -58.201709
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -6.864
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -15.950
Dist. restrs. and SS energy: 8.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -186.493833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.493833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.804686 (E_RNA)
where:
Base-Base interactions energy: -124.326
where: short stacking energy: -53.938
Base-Backbone interact. energy: -0.019
local terms energy: -62.459668
where:
bonds (distance) C4'-P energy: -11.269
bonds (distance) P-C4' energy: -11.317
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -17.038
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: 1
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -228.941596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.941596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.994380 (E_RNA)
where:
Base-Base interactions energy: -163.430
where: short stacking energy: -63.658
Base-Backbone interact. energy: -0.005
local terms energy: -65.559281
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -13.493
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -6.818
tors. eta vs tors. theta energy: -17.099
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: 300
Temperature: 0.950000
Total energy: -229.204599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.204599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.301060 (E_RNA)
where:
Base-Base interactions energy: -167.351
where: short stacking energy: -66.918
Base-Backbone interact. energy: -0.355
local terms energy: -61.594822
where:
bonds (distance) C4'-P energy: -11.651
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -7.199
tors. eta vs tors. theta energy: -17.870
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: 3
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -215.580706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.580706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.644065 (E_RNA)
where:
Base-Base interactions energy: -158.318
where: short stacking energy: -65.722
Base-Backbone interact. energy: -0.133
local terms energy: -57.192994
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -12.142
flat angles C4'-P-C4' energy: -10.995
flat angles P-C4'-P energy: -5.855
tors. eta vs tors. theta energy: -17.542
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: 10
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -207.251178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.251178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.394272 (E_RNA)
where:
Base-Base interactions energy: -142.307
where: short stacking energy: -59.617
Base-Backbone interact. energy: -0.591
local terms energy: -64.496297
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -12.260
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -15.169
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: 2
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -216.005333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.005333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.024085 (E_RNA)
where:
Base-Base interactions energy: -150.790
where: short stacking energy: -63.148
Base-Backbone interact. energy: 1.362
local terms energy: -66.596071
where:
bonds (distance) C4'-P energy: -10.417
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -16.702
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: 7
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -199.248162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.248162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.370876 (E_RNA)
where:
Base-Base interactions energy: -143.619
where: short stacking energy: -55.498
Base-Backbone interact. energy: 0.982
local terms energy: -56.734168
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -11.045
flat angles C4'-P-C4' energy: -10.929
flat angles P-C4'-P energy: -5.406
tors. eta vs tors. theta energy: -14.226
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: 9
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -202.675337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.675337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.997009 (E_RNA)
where:
Base-Base interactions energy: -150.287
where: short stacking energy: -60.041
Base-Backbone interact. energy: 0.121
local terms energy: -52.830787
where:
bonds (distance) C4'-P energy: -9.502
bonds (distance) P-C4' energy: -8.336
flat angles C4'-P-C4' energy: -10.858
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: -16.094
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: 8, replica: 5
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -183.505619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.505619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.211367 (E_RNA)
where:
Base-Base interactions energy: -128.001
where: short stacking energy: -58.980
Base-Backbone interact. energy: -0.102
local terms energy: -63.108389
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -13.403
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -13.429
Dist. restrs. and SS energy: 7.706 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -190.914255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.914255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.925868 (E_RNA)
where:
Base-Base interactions energy: -131.153
where: short stacking energy: -48.398
Base-Backbone interact. energy: 1.852
local terms energy: -61.625382
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -11.190
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -14.939
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: 4
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -167.931641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.931641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.922381 (E_RNA)
where:
Base-Base interactions energy: -119.777
where: short stacking energy: -46.272
Base-Backbone interact. energy: -0.032
local terms energy: -57.113646
where:
bonds (distance) C4'-P energy: -11.438
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -11.554
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -12.238
Dist. restrs. and SS energy: 8.991 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -238.472958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.472958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.472958 (E_RNA)
where:
Base-Base interactions energy: -175.061
where: short stacking energy: -70.228
Base-Backbone interact. energy: -0.387
local terms energy: -63.024982
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: -17.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -238.021733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.021733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.021733 (E_RNA)
where:
Base-Base interactions energy: -172.425
where: short stacking energy: -70.447
Base-Backbone interact. energy: -0.399
local terms energy: -65.197746
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -6.630
tors. eta vs tors. theta energy: -17.321
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -220.986933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.986933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.986933 (E_RNA)
where:
Base-Base interactions energy: -160.520
where: short stacking energy: -58.790
Base-Backbone interact. energy: -0.814
local terms energy: -59.652736
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -12.016
flat angles P-C4'-P energy: -4.616
tors. eta vs tors. theta energy: -14.436
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -216.331911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.331911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.342508 (E_RNA)
where:
Base-Base interactions energy: -154.612
where: short stacking energy: -67.506
Base-Backbone interact. energy: -0.001
local terms energy: -61.729210
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -10.284
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -7.937
tors. eta vs tors. theta energy: -18.645
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -213.654039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.654039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.682082 (E_RNA)
where:
Base-Base interactions energy: -155.748
where: short stacking energy: -62.330
Base-Backbone interact. energy: -0.323
local terms energy: -57.611355
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -10.534
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -6.843
tors. eta vs tors. theta energy: -13.938
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -204.299161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.299161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.299161 (E_RNA)
where:
Base-Base interactions energy: -145.925
where: short stacking energy: -58.355
Base-Backbone interact. energy: -0.327
local terms energy: -58.046821
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -8.883
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -13.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -197.110721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.110721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.236727 (E_RNA)
where:
Base-Base interactions energy: -140.828
where: short stacking energy: -56.725
Base-Backbone interact. energy: 0.037
local terms energy: -56.446100
where:
bonds (distance) C4'-P energy: -7.546
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -13.883
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: 6
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -191.395765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.395765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.475803 (E_RNA)
where:
Base-Base interactions energy: -136.376
where: short stacking energy: -49.674
Base-Backbone interact. energy: -1.285
local terms energy: -53.815372
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -7.028
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -13.134
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: 301
Temperature: 1.300000
Total energy: -176.068135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.068135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.666208 (E_RNA)
where:
Base-Base interactions energy: -126.245
where: short stacking energy: -46.606
Base-Backbone interact. energy: -0.001
local terms energy: -58.420674
where:
bonds (distance) C4'-P energy: -6.059
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -9.586
tors. eta vs tors. theta energy: -16.847
Dist. restrs. and SS energy: 8.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -177.339655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.339655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.190051 (E_RNA)
where:
Base-Base interactions energy: -124.991
where: short stacking energy: -49.282
Base-Backbone interact. energy: -0.002
local terms energy: -59.196652
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -11.229
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -13.212
Dist. restrs. and SS energy: 6.850 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -215.847303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.847303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.876473 (E_RNA)
where:
Base-Base interactions energy: -152.752
where: short stacking energy: -62.769
Base-Backbone interact. energy: -0.100
local terms energy: -63.023957
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -11.293
flat angles P-C4'-P energy: -4.907
tors. eta vs tors. theta energy: -18.632
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -229.803754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.803754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.919482 (E_RNA)
where:
Base-Base interactions energy: -169.622
where: short stacking energy: -70.817
Base-Backbone interact. energy: -0.008
local terms energy: -60.288841
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -9.371
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -5.357
tors. eta vs tors. theta energy: -18.643
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: 2
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -222.195335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.195335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.243526 (E_RNA)
where:
Base-Base interactions energy: -159.929
where: short stacking energy: -59.315
Base-Backbone interact. energy: -0.014
local terms energy: -62.300368
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -12.423
flat angles P-C4'-P energy: -6.482
tors. eta vs tors. theta energy: -16.805
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: 3
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -211.964149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.964149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.016277 (E_RNA)
where:
Base-Base interactions energy: -145.799
where: short stacking energy: -61.738
Base-Backbone interact. energy: 0.788
local terms energy: -67.004743
where:
bonds (distance) C4'-P energy: -9.541
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -16.520
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: 10
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -211.562160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.562160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.793252 (E_RNA)
where:
Base-Base interactions energy: -147.195
where: short stacking energy: -60.830
Base-Backbone interact. energy: -0.006
local terms energy: -64.592565
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -13.390
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -15.046
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: 6, replica: 7
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -206.858218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.858218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.998814 (E_RNA)
where:
Base-Base interactions energy: -146.494
where: short stacking energy: -57.460
Base-Backbone interact. energy: -0.103
local terms energy: -60.402200
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -9.850
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -14.997
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -201.630873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.630873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.712222 (E_RNA)
where:
Base-Base interactions energy: -144.699
where: short stacking energy: -60.069
Base-Backbone interact. energy: -0.081
local terms energy: -56.932634
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -9.422
flat angles C4'-P-C4' energy: -11.837
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -14.404
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -195.366745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.366745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.380608 (E_RNA)
where:
Base-Base interactions energy: -138.866
where: short stacking energy: -52.103
Base-Backbone interact. energy: -0.002
local terms energy: -56.512938
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -9.573
flat angles C4'-P-C4' energy: -8.015
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -13.934
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: 4
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -174.901300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.901300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.109476 (E_RNA)
where:
Base-Base interactions energy: -127.148
where: short stacking energy: -53.982
Base-Backbone interact. energy: -0.351
local terms energy: -55.611381
where:
bonds (distance) C4'-P energy: -6.974
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -7.585
tors. eta vs tors. theta energy: -14.809
Dist. restrs. and SS energy: 8.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -170.602087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.602087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.413717 (E_RNA)
where:
Base-Base interactions energy: -124.941
where: short stacking energy: -53.685
Base-Backbone interact. energy: -0.152
local terms energy: -53.320184
where:
bonds (distance) C4'-P energy: -9.102
bonds (distance) P-C4' energy: -8.583
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -12.731
Dist. restrs. and SS energy: 7.812 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -222.132645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.132645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.174104 (E_RNA)
where:
Base-Base interactions energy: -152.540
where: short stacking energy: -67.345
Base-Backbone interact. energy: -0.000
local terms energy: -69.634139
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -11.869
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -18.498
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: 2
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -225.652569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.652569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.734426 (E_RNA)
where:
Base-Base interactions energy: -163.206
where: short stacking energy: -66.670
Base-Backbone interact. energy: -0.011
local terms energy: -62.517396
where:
bonds (distance) C4'-P energy: -10.092
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -6.574
tors. eta vs tors. theta energy: -16.503
Dist. restrs. and SS energy: 0.082 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -219.517024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.517024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.564902 (E_RNA)
where:
Base-Base interactions energy: -164.465
where: short stacking energy: -61.696
Base-Backbone interact. energy: -0.127
local terms energy: -54.973132
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -9.998
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -1.930
tors. eta vs tors. theta energy: -19.690
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: 10
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -208.556647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.556647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.590859 (E_RNA)
where:
Base-Base interactions energy: -147.352
where: short stacking energy: -59.860
Base-Backbone interact. energy: -0.030
local terms energy: -61.208845
where:
bonds (distance) C4'-P energy: -10.089
bonds (distance) P-C4' energy: -12.520
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -15.456
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -208.550471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.550471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.550471 (E_RNA)
where:
Base-Base interactions energy: -152.623
where: short stacking energy: -61.337
Base-Backbone interact. energy: -0.003
local terms energy: -55.924625
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -11.623
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -10.862
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -203.932699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.932699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.070081 (E_RNA)
where:
Base-Base interactions energy: -146.379
where: short stacking energy: -52.169
Base-Backbone interact. energy: -0.091
local terms energy: -57.600152
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -10.122
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -12.613
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -199.779400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.779400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.791174 (E_RNA)
where:
Base-Base interactions energy: -142.774
where: short stacking energy: -52.973
Base-Backbone interact. energy: 0.388
local terms energy: -57.404728
where:
bonds (distance) C4'-P energy: -10.249
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -7.079
tors. eta vs tors. theta energy: -13.544
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -203.412370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.412370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.429604 (E_RNA)
where:
Base-Base interactions energy: -140.976
where: short stacking energy: -60.027
Base-Backbone interact. energy: -0.290
local terms energy: -62.163881
where:
bonds (distance) C4'-P energy: -8.365
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -10.382
tors. eta vs tors. theta energy: -17.165
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -174.954388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.954388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.076455 (E_RNA)
where:
Base-Base interactions energy: -125.426
where: short stacking energy: -54.405
Base-Backbone interact. energy: -1.015
local terms energy: -55.635962
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -9.832
flat angles C4'-P-C4' energy: -9.141
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -15.290
Dist. restrs. and SS energy: 7.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -172.338298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.338298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.324821 (E_RNA)
where:
Base-Base interactions energy: -130.310
where: short stacking energy: -55.917
Base-Backbone interact. energy: -0.040
local terms energy: -49.974855
where:
bonds (distance) C4'-P energy: -5.649
bonds (distance) P-C4' energy: -12.648
flat angles C4'-P-C4' energy: -10.924
flat angles P-C4'-P energy: -5.042
tors. eta vs tors. theta energy: -15.712
Dist. restrs. and SS energy: 7.987 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -239.533305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.533305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.533305 (E_RNA)
where:
Base-Base interactions energy: -171.967
where: short stacking energy: -68.138
Base-Backbone interact. energy: -0.016
local terms energy: -67.549761
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -13.157
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -17.080
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -223.254281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.254281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.269463 (E_RNA)
where:
Base-Base interactions energy: -154.129
where: short stacking energy: -66.484
Base-Backbone interact. energy: -0.001
local terms energy: -69.139927
where:
bonds (distance) C4'-P energy: -10.154
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -17.830
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -221.175165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.175165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.267502 (E_RNA)
where:
Base-Base interactions energy: -162.165
where: short stacking energy: -65.799
Base-Backbone interact. energy: -0.001
local terms energy: -59.101031
where:
bonds (distance) C4'-P energy: -8.952
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -4.139
tors. eta vs tors. theta energy: -18.248
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -233.004377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.004377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.004377 (E_RNA)
where:
Base-Base interactions energy: -169.445
where: short stacking energy: -68.078
Base-Backbone interact. energy: -0.012
local terms energy: -63.547715
where:
bonds (distance) C4'-P energy: -10.411
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -14.017
flat angles P-C4'-P energy: -4.918
tors. eta vs tors. theta energy: -18.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -205.065567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.065567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.196858 (E_RNA)
where:
Base-Base interactions energy: -145.230
where: short stacking energy: -61.667
Base-Backbone interact. energy: -0.003
local terms energy: -59.964146
where:
bonds (distance) C4'-P energy: -10.329
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -16.091
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -197.178284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.178284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.233268 (E_RNA)
where:
Base-Base interactions energy: -135.288
where: short stacking energy: -56.051
Base-Backbone interact. energy: -0.089
local terms energy: -61.855699
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -13.633
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: 9
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -203.827262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.827262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.958253 (E_RNA)
where:
Base-Base interactions energy: -150.213
where: short stacking energy: -57.100
Base-Backbone interact. energy: 0.193
local terms energy: -53.938321
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -9.209
flat angles C4'-P-C4' energy: -9.703
flat angles P-C4'-P energy: -6.786
tors. eta vs tors. theta energy: -14.080
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: 6
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -201.359872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.359872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.451053 (E_RNA)
where:
Base-Base interactions energy: -143.312
where: short stacking energy: -56.508
Base-Backbone interact. energy: -0.057
local terms energy: -58.081363
where:
bonds (distance) C4'-P energy: -11.249
bonds (distance) P-C4' energy: -10.912
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -15.137
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -185.306304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.306304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.763064 (E_RNA)
where:
Base-Base interactions energy: -135.613
where: short stacking energy: -54.378
Base-Backbone interact. energy: -0.792
local terms energy: -57.358212
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -4.448
tors. eta vs tors. theta energy: -13.424
Dist. restrs. and SS energy: 8.457 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -173.623060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.623060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.520628 (E_RNA)
where:
Base-Base interactions energy: -118.827
where: short stacking energy: -55.183
Base-Backbone interact. energy: -0.033
local terms energy: -61.660795
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: -15.164
Dist. restrs. and SS energy: 6.898 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -232.040390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.040390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.090701 (E_RNA)
where:
Base-Base interactions energy: -172.325
where: short stacking energy: -60.100
Base-Backbone interact. energy: -0.271
local terms energy: -59.494851
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -4.768
tors. eta vs tors. theta energy: -16.155
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: 10
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -227.428985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.428985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.451429 (E_RNA)
where:
Base-Base interactions energy: -167.033
where: short stacking energy: -69.146
Base-Backbone interact. energy: -0.157
local terms energy: -60.261489
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -13.089
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -4.850
tors. eta vs tors. theta energy: -16.561
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: 8
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -212.472061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.472061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.511440 (E_RNA)
where:
Base-Base interactions energy: -145.089
where: short stacking energy: -59.898
Base-Backbone interact. energy: -0.011
local terms energy: -67.411505
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -16.670
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -207.330735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.330735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.370820 (E_RNA)
where:
Base-Base interactions energy: -147.096
where: short stacking energy: -60.879
Base-Backbone interact. energy: 0.735
local terms energy: -61.009715
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -12.333
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -15.240
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: 305
Temperature: 1.100000
Total energy: -217.458189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.458189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.458189 (E_RNA)
where:
Base-Base interactions energy: -162.433
where: short stacking energy: -62.301
Base-Backbone interact. energy: -0.066
local terms energy: -54.959725
where:
bonds (distance) C4'-P energy: -10.742
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -2.938
tors. eta vs tors. theta energy: -15.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -210.038790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.038790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.040180 (E_RNA)
where:
Base-Base interactions energy: -151.535
where: short stacking energy: -56.966
Base-Backbone interact. energy: -0.010
local terms energy: -58.495699
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -13.571
flat angles C4'-P-C4' energy: -10.268
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: -14.646
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -200.605574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.605574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.620190 (E_RNA)
where:
Base-Base interactions energy: -143.323
where: short stacking energy: -56.149
Base-Backbone interact. energy: -0.005
local terms energy: -57.292057
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -6.091
tors. eta vs tors. theta energy: -9.052
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: 305
Temperature: 1.250000
Total energy: -191.167916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.167916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.531820 (E_RNA)
where:
Base-Base interactions energy: -135.975
where: short stacking energy: -55.191
Base-Backbone interact. energy: 0.074
local terms energy: -63.631079
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -10.624
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: -15.010
Dist. restrs. and SS energy: 8.364 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -193.405707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.405707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.440162 (E_RNA)
where:
Base-Base interactions energy: -131.085
where: short stacking energy: -49.625
Base-Backbone interact. energy: -0.099
local terms energy: -62.256484
where:
bonds (distance) C4'-P energy: -10.252
bonds (distance) P-C4' energy: -15.576
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -13.062
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -173.575238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.575238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.293591 (E_RNA)
where:
Base-Base interactions energy: -126.252
where: short stacking energy: -50.063
Base-Backbone interact. energy: -1.266
local terms energy: -52.775671
where:
bonds (distance) C4'-P energy: -8.973
bonds (distance) P-C4' energy: -9.633
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -7.204
tors. eta vs tors. theta energy: -13.114
Dist. restrs. and SS energy: 6.718 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -229.279537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.279537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.302874 (E_RNA)
where:
Base-Base interactions energy: -169.116
where: short stacking energy: -66.410
Base-Backbone interact. energy: -0.243
local terms energy: -59.943314
where:
bonds (distance) C4'-P energy: -13.589
bonds (distance) P-C4' energy: -10.568
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -3.085
tors. eta vs tors. theta energy: -17.253
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: 306
Temperature: 0.950000
Total energy: -223.748171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.748171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.823420 (E_RNA)
where:
Base-Base interactions energy: -161.352
where: short stacking energy: -67.423
Base-Backbone interact. energy: -0.024
local terms energy: -62.447139
where:
bonds (distance) C4'-P energy: -8.330
bonds (distance) P-C4' energy: -16.235
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -16.921
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: 3
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -209.353900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.353900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.371874 (E_RNA)
where:
Base-Base interactions energy: -138.593
where: short stacking energy: -59.204
Base-Backbone interact. energy: -0.014
local terms energy: -70.764396
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -15.833
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: 8
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -211.478755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.478755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.598369 (E_RNA)
where:
Base-Base interactions energy: -141.858
where: short stacking energy: -55.707
Base-Backbone interact. energy: -0.012
local terms energy: -69.727725
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -12.022
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -16.113
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -211.131383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.131383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.168973 (E_RNA)
where:
Base-Base interactions energy: -144.328
where: short stacking energy: -56.909
Base-Backbone interact. energy: -0.018
local terms energy: -66.822755
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -15.425
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -17.158
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -202.188404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.188404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.220458 (E_RNA)
where:
Base-Base interactions energy: -140.273
where: short stacking energy: -54.125
Base-Backbone interact. energy: -0.107
local terms energy: -61.840846
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -5.321
tors. eta vs tors. theta energy: -17.533
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: 5
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -186.948051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.948051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.040302 (E_RNA)
where:
Base-Base interactions energy: -129.162
where: short stacking energy: -57.696
Base-Backbone interact. energy: -0.882
local terms energy: -65.997103
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -14.950
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -17.546
Dist. restrs. and SS energy: 9.092 (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: 306
Temperature: 1.250000
Total energy: -197.108489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.108489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.159571 (E_RNA)
where:
Base-Base interactions energy: -141.382
where: short stacking energy: -54.707
Base-Backbone interact. energy: -0.697
local terms energy: -55.080255
where:
bonds (distance) C4'-P energy: -11.854
bonds (distance) P-C4' energy: -14.171
flat angles C4'-P-C4' energy: -9.151
flat angles P-C4'-P energy: -3.802
tors. eta vs tors. theta energy: -16.103
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: 306
Temperature: 1.300000
Total energy: -191.411067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.411067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.439749 (E_RNA)
where:
Base-Base interactions energy: -133.701
where: short stacking energy: -50.377
Base-Backbone interact. energy: -0.057
local terms energy: -57.681885
where:
bonds (distance) C4'-P energy: -9.583
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -11.249
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -165.926156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.926156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.528007 (E_RNA)
where:
Base-Base interactions energy: -118.871
where: short stacking energy: -49.913
Base-Backbone interact. energy: -0.135
local terms energy: -54.522388
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -9.319
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -12.691
Dist. restrs. and SS energy: 7.602 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -236.802459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.802459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.860740 (E_RNA)
where:
Base-Base interactions energy: -169.064
where: short stacking energy: -65.930
Base-Backbone interact. energy: -0.161
local terms energy: -67.635234
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -16.309
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -223.420523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.420523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.496335 (E_RNA)
where:
Base-Base interactions energy: -155.354
where: short stacking energy: -64.767
Base-Backbone interact. energy: -0.004
local terms energy: -68.138870
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -8.905
tors. eta vs tors. theta energy: -17.693
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -214.592499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.592499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.627832 (E_RNA)
where:
Base-Base interactions energy: -157.344
where: short stacking energy: -63.441
Base-Backbone interact. energy: -0.015
local terms energy: -57.269055
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -4.338
tors. eta vs tors. theta energy: -12.056
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: 307
Temperature: 1.050000
Total energy: -213.450171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.450171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.560368 (E_RNA)
where:
Base-Base interactions energy: -146.806
where: short stacking energy: -57.958
Base-Backbone interact. energy: -0.031
local terms energy: -66.724242
where:
bonds (distance) C4'-P energy: -8.972
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -17.948
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: 8
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -208.767754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.767754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.899078 (E_RNA)
where:
Base-Base interactions energy: -147.866
where: short stacking energy: -66.847
Base-Backbone interact. energy: -0.041
local terms energy: -60.991736
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -11.727
flat angles C4'-P-C4' energy: -11.554
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -17.095
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -222.145118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.145118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.216770 (E_RNA)
where:
Base-Base interactions energy: -164.604
where: short stacking energy: -60.669
Base-Backbone interact. energy: -0.593
local terms energy: -57.019281
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -10.349
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -0.443
tors. eta vs tors. theta energy: -16.377
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: 5
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -180.302259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.302259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.842310 (E_RNA)
where:
Base-Base interactions energy: -131.181
where: short stacking energy: -55.647
Base-Backbone interact. energy: -0.031
local terms energy: -56.631014
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -10.548
flat angles P-C4'-P energy: -7.294
tors. eta vs tors. theta energy: -13.972
Dist. restrs. and SS energy: 7.540 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -208.955025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.955025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.955025 (E_RNA)
where:
Base-Base interactions energy: -150.885
where: short stacking energy: -67.796
Base-Backbone interact. energy: -0.008
local terms energy: -58.062097
where:
bonds (distance) C4'-P energy: -10.009
bonds (distance) P-C4' energy: -10.063
flat angles C4'-P-C4' energy: -12.216
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -16.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -201.539355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.539355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.715133 (E_RNA)
where:
Base-Base interactions energy: -137.665
where: short stacking energy: -57.561
Base-Backbone interact. energy: -0.080
local terms energy: -63.970730
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -15.285
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -172.484570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.484570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.675383 (E_RNA)
where:
Base-Base interactions energy: -129.859
where: short stacking energy: -59.033
Base-Backbone interact. energy: -0.000
local terms energy: -49.816364
where:
bonds (distance) C4'-P energy: -9.503
bonds (distance) P-C4' energy: -10.416
flat angles C4'-P-C4' energy: -10.842
flat angles P-C4'-P energy: -4.340
tors. eta vs tors. theta energy: -14.715
Dist. restrs. and SS energy: 7.191 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -229.799149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.799149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.799149 (E_RNA)
where:
Base-Base interactions energy: -167.413
where: short stacking energy: -67.738
Base-Backbone interact. energy: -0.048
local terms energy: -62.337976
where:
bonds (distance) C4'-P energy: -11.960
bonds (distance) P-C4' energy: -12.727
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -7.605
tors. eta vs tors. theta energy: -17.641
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -228.011072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.011072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.021674 (E_RNA)
where:
Base-Base interactions energy: -171.405
where: short stacking energy: -68.969
Base-Backbone interact. energy: -0.103
local terms energy: -56.514141
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -10.920
flat angles P-C4'-P energy: -5.101
tors. eta vs tors. theta energy: -15.127
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -215.206027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.206027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.236922 (E_RNA)
where:
Base-Base interactions energy: -149.300
where: short stacking energy: -60.008
Base-Backbone interact. energy: -0.038
local terms energy: -65.899126
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -10.391
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -17.764
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -216.438374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.438374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.468576 (E_RNA)
where:
Base-Base interactions energy: -157.162
where: short stacking energy: -64.261
Base-Backbone interact. energy: -0.009
local terms energy: -59.297710
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -10.277
flat angles P-C4'-P energy: -5.450
tors. eta vs tors. theta energy: -16.082
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: 1
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -229.694626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.694626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.798948 (E_RNA)
where:
Base-Base interactions energy: -169.042
where: short stacking energy: -65.116
Base-Backbone interact. energy: -0.011
local terms energy: -60.746024
where:
bonds (distance) C4'-P energy: -8.171
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: -17.480
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -211.244784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.244784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.268874 (E_RNA)
where:
Base-Base interactions energy: -155.456
where: short stacking energy: -57.349
Base-Backbone interact. energy: -0.024
local terms energy: -55.788934
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -12.259
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -5.417
tors. eta vs tors. theta energy: -13.318
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -184.906164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.906164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.694577 (E_RNA)
where:
Base-Base interactions energy: -133.120
where: short stacking energy: -58.421
Base-Backbone interact. energy: -0.013
local terms energy: -59.561330
where:
bonds (distance) C4'-P energy: -9.620
bonds (distance) P-C4' energy: -10.868
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -15.123
Dist. restrs. and SS energy: 7.788 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -202.169414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.169414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.198447 (E_RNA)
where:
Base-Base interactions energy: -141.242
where: short stacking energy: -55.423
Base-Backbone interact. energy: -0.279
local terms energy: -60.677432
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -11.015
flat angles P-C4'-P energy: -6.582
tors. eta vs tors. theta energy: -17.210
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -175.155221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.155221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.604848 (E_RNA)
where:
Base-Base interactions energy: -124.635
where: short stacking energy: -54.834
Base-Backbone interact. energy: -0.004
local terms energy: -57.965050
where:
bonds (distance) C4'-P energy: -9.391
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -8.515
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -16.316
Dist. restrs. and SS energy: 7.450 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -200.925051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.925051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.122346 (E_RNA)
where:
Base-Base interactions energy: -150.247
where: short stacking energy: -59.704
Base-Backbone interact. energy: -0.009
local terms energy: -50.866530
where:
bonds (distance) C4'-P energy: -8.269
bonds (distance) P-C4' energy: -9.975
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -1.445
tors. eta vs tors. theta energy: -18.179
Dist. restrs. and SS energy: 0.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -224.141804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.141804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.232166 (E_RNA)
where:
Base-Base interactions energy: -161.224
where: short stacking energy: -66.551
Base-Backbone interact. energy: -0.403
local terms energy: -62.605267
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -4.805
tors. eta vs tors. theta energy: -16.071
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: 2
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -236.422313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.422313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.452582 (E_RNA)
where:
Base-Base interactions energy: -173.200
where: short stacking energy: -74.364
Base-Backbone interact. energy: -0.051
local terms energy: -63.201082
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -11.591
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -6.181
tors. eta vs tors. theta energy: -17.501
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -211.966823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.966823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.031068 (E_RNA)
where:
Base-Base interactions energy: -148.281
where: short stacking energy: -60.723
Base-Backbone interact. energy: -0.077
local terms energy: -63.673106
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -14.148
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: 1
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -226.363802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.363802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.392187 (E_RNA)
where:
Base-Base interactions energy: -161.732
where: short stacking energy: -59.659
Base-Backbone interact. energy: -0.003
local terms energy: -64.656979
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -7.233
tors. eta vs tors. theta energy: -16.646
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -209.532364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.532364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.575630 (E_RNA)
where:
Base-Base interactions energy: -150.319
where: short stacking energy: -62.061
Base-Backbone interact. energy: -0.157
local terms energy: -59.100093
where:
bonds (distance) C4'-P energy: -5.818
bonds (distance) P-C4' energy: -12.117
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -16.546
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: 5
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -186.210701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.210701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.375702 (E_RNA)
where:
Base-Base interactions energy: -136.843
where: short stacking energy: -61.151
Base-Backbone interact. energy: -0.018
local terms energy: -56.514647
where:
bonds (distance) C4'-P energy: -7.427
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -6.571
tors. eta vs tors. theta energy: -15.383
Dist. restrs. and SS energy: 7.165 (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: 8
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -198.345062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.345062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.382101 (E_RNA)
where:
Base-Base interactions energy: -144.948
where: short stacking energy: -59.234
Base-Backbone interact. energy: 0.113
local terms energy: -53.547659
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -9.473
flat angles C4'-P-C4' energy: -9.606
flat angles P-C4'-P energy: -6.424
tors. eta vs tors. theta energy: -16.348
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -207.497221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.497221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.500393 (E_RNA)
where:
Base-Base interactions energy: -141.492
where: short stacking energy: -60.027
Base-Backbone interact. energy: -0.001
local terms energy: -66.007077
where:
bonds (distance) C4'-P energy: -13.663
bonds (distance) P-C4' energy: -11.982
flat angles C4'-P-C4' energy: -12.786
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -16.053
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: 309
Temperature: 1.300000
Total energy: -183.420313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.420313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.011751 (E_RNA)
where:
Base-Base interactions energy: -135.285
where: short stacking energy: -58.589
Base-Backbone interact. energy: -0.798
local terms energy: -55.928319
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -11.245
flat angles P-C4'-P energy: -5.277
tors. eta vs tors. theta energy: -12.759
Dist. restrs. and SS energy: 8.591 (S_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: 309
Temperature: 1.350000
Total energy: -195.994862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.994862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.166749 (E_RNA)
where:
Base-Base interactions energy: -133.659
where: short stacking energy: -54.048
Base-Backbone interact. energy: -0.001
local terms energy: -62.506440
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -13.965
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -6.430
tors. eta vs tors. theta energy: -14.486
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: 2
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -235.267651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.267651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.278178 (E_RNA)
where:
Base-Base interactions energy: -171.327
where: short stacking energy: -68.801
Base-Backbone interact. energy: -0.015
local terms energy: -63.936251
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -4.894
tors. eta vs tors. theta energy: -18.128
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: 3
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -216.725536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.725536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.817030 (E_RNA)
where:
Base-Base interactions energy: -150.374
where: short stacking energy: -59.537
Base-Backbone interact. energy: -0.213
local terms energy: -66.230098
where:
bonds (distance) C4'-P energy: -13.169
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -16.208
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -216.352948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.352948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.375523 (E_RNA)
where:
Base-Base interactions energy: -150.435
where: short stacking energy: -66.518
Base-Backbone interact. energy: -0.014
local terms energy: -65.926331
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -15.019
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -216.533767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.533767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.642772 (E_RNA)
where:
Base-Base interactions energy: -151.306
where: short stacking energy: -66.990
Base-Backbone interact. energy: -0.002
local terms energy: -65.335262
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -12.216
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -10.019
tors. eta vs tors. theta energy: -18.313
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -215.506430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.506430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.605006 (E_RNA)
where:
Base-Base interactions energy: -155.763
where: short stacking energy: -66.091
Base-Backbone interact. energy: -0.003
local terms energy: -59.838754
where:
bonds (distance) C4'-P energy: -10.143
bonds (distance) P-C4' energy: -11.210
flat angles C4'-P-C4' energy: -14.379
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -14.355
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -195.620584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.620584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.503432 (E_RNA)
where:
Base-Base interactions energy: -138.386
where: short stacking energy: -53.623
Base-Backbone interact. energy: -0.828
local terms energy: -64.290073
where:
bonds (distance) C4'-P energy: -10.899
bonds (distance) P-C4' energy: -10.342
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -17.819
Dist. restrs. and SS energy: 7.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -206.218438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.218438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.289981 (E_RNA)
where:
Base-Base interactions energy: -145.222
where: short stacking energy: -55.003
Base-Backbone interact. energy: -0.102
local terms energy: -60.966394
where:
bonds (distance) C4'-P energy: -9.262
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -12.680
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: 310
Temperature: 1.250000
Total energy: -190.629273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.629273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.665800 (E_RNA)
where:
Base-Base interactions energy: -138.583
where: short stacking energy: -52.802
Base-Backbone interact. energy: -0.674
local terms energy: -51.409130
where:
bonds (distance) C4'-P energy: -10.108
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -6.471
tors. eta vs tors. theta energy: -12.326
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: 310
Temperature: 1.300000
Total energy: -196.782520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.782520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.908666 (E_RNA)
where:
Base-Base interactions energy: -140.119
where: short stacking energy: -62.070
Base-Backbone interact. energy: -0.201
local terms energy: -56.588630
where:
bonds (distance) C4'-P energy: -11.263
bonds (distance) P-C4' energy: -13.178
flat angles C4'-P-C4' energy: -7.833
flat angles P-C4'-P energy: -7.355
tors. eta vs tors. theta energy: -16.960
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: 10, replica: 4
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -176.782198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.782198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.264408 (E_RNA)
where:
Base-Base interactions energy: -125.771
where: short stacking energy: -50.445
Base-Backbone interact. energy: -0.200
local terms energy: -59.293452
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -11.195
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -14.271
Dist. restrs. and SS energy: 8.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -234.492949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.492949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.603278 (E_RNA)
where:
Base-Base interactions energy: -174.801
where: short stacking energy: -71.123
Base-Backbone interact. energy: -0.025
local terms energy: -59.777430
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -11.973
flat angles P-C4'-P energy: -2.574
tors. eta vs tors. theta energy: -18.279
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -217.357912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.357912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.394639 (E_RNA)
where:
Base-Base interactions energy: -153.558
where: short stacking energy: -65.644
Base-Backbone interact. energy: -0.001
local terms energy: -63.835272
where:
bonds (distance) C4'-P energy: -10.323
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -8.672
tors. eta vs tors. theta energy: -15.280
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: 311
Temperature: 1.000000
Total energy: -218.951500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.951500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.129868 (E_RNA)
where:
Base-Base interactions energy: -152.252
where: short stacking energy: -64.144
Base-Backbone interact. energy: -0.000
local terms energy: -66.877895
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -15.211
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: 10
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -210.814838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.814838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.847741 (E_RNA)
where:
Base-Base interactions energy: -144.709
where: short stacking energy: -59.477
Base-Backbone interact. energy: 0.623
local terms energy: -66.761673
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -16.028
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -16.793
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: 9
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -204.852448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.852448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.940403 (E_RNA)
where:
Base-Base interactions energy: -142.553
where: short stacking energy: -57.966
Base-Backbone interact. energy: -0.458
local terms energy: -61.929881
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -18.360
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: 6
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -206.835799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.835799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.895041 (E_RNA)
where:
Base-Base interactions energy: -140.683
where: short stacking energy: -61.989
Base-Backbone interact. energy: -0.004
local terms energy: -66.208617
where:
bonds (distance) C4'-P energy: -11.793
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -15.320
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -173.679314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.679314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.228202 (E_RNA)
where:
Base-Base interactions energy: -126.985
where: short stacking energy: -51.552
Base-Backbone interact. energy: 0.069
local terms energy: -56.312129
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -10.550
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -9.397
Dist. restrs. and SS energy: 9.549 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -209.265120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.265120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.324678 (E_RNA)
where:
Base-Base interactions energy: -143.611
where: short stacking energy: -58.962
Base-Backbone interact. energy: -0.005
local terms energy: -65.708554
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -14.213
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -15.191
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: 8
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -195.588313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.588313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.708426 (E_RNA)
where:
Base-Base interactions energy: -138.395
where: short stacking energy: -55.148
Base-Backbone interact. energy: -0.122
local terms energy: -57.191186
where:
bonds (distance) C4'-P energy: -7.470
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -12.993
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -17.009
Dist. restrs. and SS energy: 0.120 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -184.522627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.522627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.004619 (E_RNA)
where:
Base-Base interactions energy: -126.107
where: short stacking energy: -51.404
Base-Backbone interact. energy: -0.239
local terms energy: -64.658078
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -15.319
Dist. restrs. and SS energy: 6.482 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -227.841898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.841898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.981765 (E_RNA)
where:
Base-Base interactions energy: -161.783
where: short stacking energy: -66.438
Base-Backbone interact. energy: -0.025
local terms energy: -66.173956
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -14.528
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -6.991
tors. eta vs tors. theta energy: -17.472
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: 2
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -229.620944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.620944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.620944 (E_RNA)
where:
Base-Base interactions energy: -163.529
where: short stacking energy: -64.685
Base-Backbone interact. energy: -0.608
local terms energy: -65.484220
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -3.959
tors. eta vs tors. theta energy: -17.824
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: 10
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -215.405051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.405051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.407005 (E_RNA)
where:
Base-Base interactions energy: -149.407
where: short stacking energy: -62.693
Base-Backbone interact. energy: -0.170
local terms energy: -65.829715
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -15.473
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: 312
Temperature: 1.050000
Total energy: -213.991610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.991610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.083374 (E_RNA)
where:
Base-Base interactions energy: -147.324
where: short stacking energy: -59.727
Base-Backbone interact. energy: -0.282
local terms energy: -66.477382
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -15.451
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -207.238688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.238688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.310418 (E_RNA)
where:
Base-Base interactions energy: -138.314
where: short stacking energy: -51.830
Base-Backbone interact. energy: -0.003
local terms energy: -68.993649
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -12.592
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -16.265
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: 312
Temperature: 1.150000
Total energy: -203.744810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.744810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.883876 (E_RNA)
where:
Base-Base interactions energy: -142.088
where: short stacking energy: -60.954
Base-Backbone interact. energy: -0.285
local terms energy: -61.511785
where:
bonds (distance) C4'-P energy: -9.138
bonds (distance) P-C4' energy: -10.590
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -16.582
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -198.555881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.555881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.628166 (E_RNA)
where:
Base-Base interactions energy: -141.193
where: short stacking energy: -58.122
Base-Backbone interact. energy: -0.018
local terms energy: -57.417596
where:
bonds (distance) C4'-P energy: -10.916
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -4.299
tors. eta vs tors. theta energy: -14.568
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -175.938469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.938469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.423813 (E_RNA)
where:
Base-Base interactions energy: -121.487
where: short stacking energy: -49.269
Base-Backbone interact. energy: -0.914
local terms energy: -61.022716
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -12.661
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -13.224
Dist. restrs. and SS energy: 7.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -182.256252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.256252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.317189 (E_RNA)
where:
Base-Base interactions energy: -131.140
where: short stacking energy: -57.965
Base-Backbone interact. energy: -0.010
local terms energy: -57.166929
where:
bonds (distance) C4'-P energy: -9.661
bonds (distance) P-C4' energy: -11.275
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -9.000
tors. eta vs tors. theta energy: -14.594
Dist. restrs. and SS energy: 6.061 (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: 8
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -192.939543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.939543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.951132 (E_RNA)
where:
Base-Base interactions energy: -139.040
where: short stacking energy: -56.957
Base-Backbone interact. energy: -0.003
local terms energy: -53.908352
where:
bonds (distance) C4'-P energy: -4.925
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -14.646
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: -11.315
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: 1
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -216.940281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.940281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.943808 (E_RNA)
where:
Base-Base interactions energy: -146.029
where: short stacking energy: -60.126
Base-Backbone interact. energy: -0.001
local terms energy: -70.914134
where:
bonds (distance) C4'-P energy: -13.065
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -17.494
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -213.569370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.569370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.841903 (E_RNA)
where:
Base-Base interactions energy: -147.642
where: short stacking energy: -58.654
Base-Backbone interact. energy: -0.118
local terms energy: -66.081974
where:
bonds (distance) C4'-P energy: -10.860
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -15.724
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: 2
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -230.439837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.439837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.516807 (E_RNA)
where:
Base-Base interactions energy: -169.782
where: short stacking energy: -69.434
Base-Backbone interact. energy: -0.012
local terms energy: -60.723193
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -10.610
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -5.215
tors. eta vs tors. theta energy: -18.364
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -218.334253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.334253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.380783 (E_RNA)
where:
Base-Base interactions energy: -154.024
where: short stacking energy: -61.698
Base-Backbone interact. energy: -0.000
local terms energy: -64.356166
where:
bonds (distance) C4'-P energy: -7.933
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -18.412
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -208.358181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.358181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.380499 (E_RNA)
where:
Base-Base interactions energy: -141.212
where: short stacking energy: -55.224
Base-Backbone interact. energy: -0.057
local terms energy: -67.111801
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -13.468
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -208.689014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.689014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.700390 (E_RNA)
where:
Base-Base interactions energy: -147.393
where: short stacking energy: -61.402
Base-Backbone interact. energy: -0.003
local terms energy: -61.304731
where:
bonds (distance) C4'-P energy: -8.769
bonds (distance) P-C4' energy: -11.439
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -16.380
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: 9
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -205.595084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.595084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.063704 (E_RNA)
where:
Base-Base interactions energy: -143.449
where: short stacking energy: -59.421
Base-Backbone interact. energy: -0.010
local terms energy: -62.604890
where:
bonds (distance) C4'-P energy: -11.854
bonds (distance) P-C4' energy: -10.961
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -17.326
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: 8, replica: 4
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -186.394771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.394771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.277428 (E_RNA)
where:
Base-Base interactions energy: -127.489
where: short stacking energy: -52.101
Base-Backbone interact. energy: -0.019
local terms energy: -67.769233
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -15.849
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -14.461
Dist. restrs. and SS energy: 8.883 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -184.457839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.457839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.474396 (E_RNA)
where:
Base-Base interactions energy: -135.416
where: short stacking energy: -56.815
Base-Backbone interact. energy: -0.194
local terms energy: -55.863909
where:
bonds (distance) C4'-P energy: -14.068
bonds (distance) P-C4' energy: -8.545
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -5.784
tors. eta vs tors. theta energy: -14.598
Dist. restrs. and SS energy: 7.017 (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: 8
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -201.942642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.942642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.102354 (E_RNA)
where:
Base-Base interactions energy: -143.198
where: short stacking energy: -56.579
Base-Backbone interact. energy: -0.066
local terms energy: -58.838103
where:
bonds (distance) C4'-P energy: -5.420
bonds (distance) P-C4' energy: -11.850
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -14.149
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: 1
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -226.336686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.336686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.354108 (E_RNA)
where:
Base-Base interactions energy: -160.796
where: short stacking energy: -68.612
Base-Backbone interact. energy: 2.566
local terms energy: -68.124014
where:
bonds (distance) C4'-P energy: -14.407
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -16.318
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -213.177297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.177297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.177297 (E_RNA)
where:
Base-Base interactions energy: -150.029
where: short stacking energy: -60.231
Base-Backbone interact. energy: -0.318
local terms energy: -62.831122
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -12.094
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: -13.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -221.643168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.643168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.870376 (E_RNA)
where:
Base-Base interactions energy: -155.363
where: short stacking energy: -61.077
Base-Backbone interact. energy: -0.000
local terms energy: -66.507463
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -17.947
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: 4, replica: 2
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -225.066654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.066654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.125609 (E_RNA)
where:
Base-Base interactions energy: -166.316
where: short stacking energy: -68.019
Base-Backbone interact. energy: -0.003
local terms energy: -58.805729
where:
bonds (distance) C4'-P energy: -8.135
bonds (distance) P-C4' energy: -12.507
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -5.239
tors. eta vs tors. theta energy: -17.213
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -210.194869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.194869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.228148 (E_RNA)
where:
Base-Base interactions energy: -149.168
where: short stacking energy: -60.438
Base-Backbone interact. energy: -0.082
local terms energy: -60.977873
where:
bonds (distance) C4'-P energy: -10.013
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -17.018
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -203.502912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.502912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.556212 (E_RNA)
where:
Base-Base interactions energy: -140.084
where: short stacking energy: -56.685
Base-Backbone interact. energy: -0.001
local terms energy: -63.470874
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -13.198
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -7.566
tors. eta vs tors. theta energy: -13.661
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: 9
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -200.670090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.670090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.720056 (E_RNA)
where:
Base-Base interactions energy: -134.588
where: short stacking energy: -55.130
Base-Backbone interact. energy: -0.000
local terms energy: -66.132112
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -6.628
tors. eta vs tors. theta energy: -19.093
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: -183.879934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.879934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.802431 (E_RNA)
where:
Base-Base interactions energy: -126.952
where: short stacking energy: -50.380
Base-Backbone interact. energy: -0.009
local terms energy: -63.841349
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -15.429
Dist. restrs. and SS energy: 6.922 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -192.788903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.788903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.919934 (E_RNA)
where:
Base-Base interactions energy: -133.297
where: short stacking energy: -52.122
Base-Backbone interact. energy: 0.988
local terms energy: -60.610797
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -11.376
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -14.591
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: 10, replica: 5
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -177.370009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.370009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.512378 (E_RNA)
where:
Base-Base interactions energy: -130.729
where: short stacking energy: -55.285
Base-Backbone interact. energy: -0.744
local terms energy: -52.038781
where:
bonds (distance) C4'-P energy: -8.082
bonds (distance) P-C4' energy: -9.947
flat angles C4'-P-C4' energy: -11.233
flat angles P-C4'-P energy: -6.867
tors. eta vs tors. theta energy: -15.910
Dist. restrs. and SS energy: 6.142 (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: 315
Temperature: 0.900000
Total energy: -226.576961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.576961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.699503 (E_RNA)
where:
Base-Base interactions energy: -158.844
where: short stacking energy: -58.723
Base-Backbone interact. energy: -0.007
local terms energy: -67.848046
where:
bonds (distance) C4'-P energy: -10.421
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -18.829
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: 315
Temperature: 0.950000
Total energy: -219.157127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.157127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.181455 (E_RNA)
where:
Base-Base interactions energy: -165.002
where: short stacking energy: -63.709
Base-Backbone interact. energy: -0.391
local terms energy: -53.787922
where:
bonds (distance) C4'-P energy: -7.930
bonds (distance) P-C4' energy: -11.523
flat angles C4'-P-C4' energy: -11.730
flat angles P-C4'-P energy: -3.682
tors. eta vs tors. theta energy: -18.922
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: 315
Temperature: 1.000000
Total energy: -215.518069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.518069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.536507 (E_RNA)
where:
Base-Base interactions energy: -154.602
where: short stacking energy: -62.920
Base-Backbone interact. energy: -0.001
local terms energy: -60.933430
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -9.808
tors. eta vs tors. theta energy: -12.306
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -208.980549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.980549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.071198 (E_RNA)
where:
Base-Base interactions energy: -140.676
where: short stacking energy: -61.291
Base-Backbone interact. energy: -0.001
local terms energy: -68.394811
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -16.679
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: 7
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -202.296992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.296992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.424890 (E_RNA)
where:
Base-Base interactions energy: -140.839
where: short stacking energy: -56.616
Base-Backbone interact. energy: -0.028
local terms energy: -61.557977
where:
bonds (distance) C4'-P energy: -9.654
bonds (distance) P-C4' energy: -13.376
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -15.777
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -205.646530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.646530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.762108 (E_RNA)
where:
Base-Base interactions energy: -144.902
where: short stacking energy: -54.791
Base-Backbone interact. energy: -0.001
local terms energy: -60.859569
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -9.619
flat angles P-C4'-P energy: -8.045
tors. eta vs tors. theta energy: -14.842
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -208.264038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.264038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.342428 (E_RNA)
where:
Base-Base interactions energy: -152.000
where: short stacking energy: -66.291
Base-Backbone interact. energy: -0.159
local terms energy: -56.184244
where:
bonds (distance) C4'-P energy: -10.922
bonds (distance) P-C4' energy: -9.027
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -7.027
tors. eta vs tors. theta energy: -14.414
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -203.819040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.819040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.856182 (E_RNA)
where:
Base-Base interactions energy: -143.315
where: short stacking energy: -58.862
Base-Backbone interact. energy: -0.000
local terms energy: -60.540767
where:
bonds (distance) C4'-P energy: -9.951
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -11.583
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -16.652
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: 315
Temperature: 1.300000
Total energy: -177.174059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.174059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.085038 (E_RNA)
where:
Base-Base interactions energy: -124.137
where: short stacking energy: -51.318
Base-Backbone interact. energy: -0.088
local terms energy: -59.860246
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -11.134
flat angles C4'-P-C4' energy: -14.010
flat angles P-C4'-P energy: -6.480
tors. eta vs tors. theta energy: -13.732
Dist. restrs. and SS energy: 6.911 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -176.934224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.934224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.807501 (E_RNA)
where:
Base-Base interactions energy: -127.531
where: short stacking energy: -54.811
Base-Backbone interact. energy: -0.001
local terms energy: -56.275475
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -8.042
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -4.897
tors. eta vs tors. theta energy: -18.203
Dist. restrs. and SS energy: 6.873 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -216.750908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.750908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.750908 (E_RNA)
where:
Base-Base interactions energy: -151.173
where: short stacking energy: -60.595
Base-Backbone interact. energy: -0.036
local terms energy: -65.542199
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -13.180
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -13.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -226.941189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.941189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.047278 (E_RNA)
where:
Base-Base interactions energy: -165.448
where: short stacking energy: -66.360
Base-Backbone interact. energy: -0.123
local terms energy: -61.476047
where:
bonds (distance) C4'-P energy: -11.235
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -11.840
flat angles P-C4'-P energy: -6.996
tors. eta vs tors. theta energy: -18.148
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -217.485326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.485326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.540509 (E_RNA)
where:
Base-Base interactions energy: -151.817
where: short stacking energy: -65.825
Base-Backbone interact. energy: -0.027
local terms energy: -65.696609
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -10.819
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -16.870
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -214.026259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.026259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.028509 (E_RNA)
where:
Base-Base interactions energy: -143.868
where: short stacking energy: -59.923
Base-Backbone interact. energy: -0.020
local terms energy: -70.139749
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -15.740
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -219.505383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.505383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.505383 (E_RNA)
where:
Base-Base interactions energy: -158.867
where: short stacking energy: -59.952
Base-Backbone interact. energy: -0.006
local terms energy: -60.632463
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -4.199
tors. eta vs tors. theta energy: -17.570
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -206.072933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.072933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.103706 (E_RNA)
where:
Base-Base interactions energy: -143.021
where: short stacking energy: -59.532
Base-Backbone interact. energy: -0.065
local terms energy: -63.017427
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -9.790
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: -14.299
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: 3
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -202.767102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.767102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.811967 (E_RNA)
where:
Base-Base interactions energy: -139.997
where: short stacking energy: -56.355
Base-Backbone interact. energy: -0.257
local terms energy: -62.557525
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -6.355
tors. eta vs tors. theta energy: -14.769
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -207.340454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.340454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.415208 (E_RNA)
where:
Base-Base interactions energy: -158.301
where: short stacking energy: -62.228
Base-Backbone interact. energy: -0.029
local terms energy: -49.084970
where:
bonds (distance) C4'-P energy: -3.511
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -3.401
tors. eta vs tors. theta energy: -16.273
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: 5
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -172.552358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.552358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.179760 (E_RNA)
where:
Base-Base interactions energy: -115.388
where: short stacking energy: -48.811
Base-Backbone interact. energy: -2.087
local terms energy: -63.704622
where:
bonds (distance) C4'-P energy: -10.804
bonds (distance) P-C4' energy: -12.688
flat angles C4'-P-C4' energy: -14.247
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -16.612
Dist. restrs. and SS energy: 8.627 (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: 4
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -166.055665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.055665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.035342 (E_RNA)
where:
Base-Base interactions energy: -114.669
where: short stacking energy: -44.916
Base-Backbone interact. energy: -0.018
local terms energy: -57.348899
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -10.840
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -10.116
Dist. restrs. and SS energy: 5.980 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -223.459599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.459599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.459599 (E_RNA)
where:
Base-Base interactions energy: -155.001
where: short stacking energy: -58.757
Base-Backbone interact. energy: -0.003
local terms energy: -68.456004
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -17.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -218.885335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.885335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.962673 (E_RNA)
where:
Base-Base interactions energy: -148.094
where: short stacking energy: -61.964
Base-Backbone interact. energy: -0.001
local terms energy: -70.866963
where:
bonds (distance) C4'-P energy: -13.754
bonds (distance) P-C4' energy: -11.466
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -18.994
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: 1
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -230.717920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.717920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.748955 (E_RNA)
where:
Base-Base interactions energy: -167.262
where: short stacking energy: -66.794
Base-Backbone interact. energy: -1.134
local terms energy: -62.352592
where:
bonds (distance) C4'-P energy: -10.103
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -13.898
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: -16.117
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -228.289053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.289053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.517511 (E_RNA)
where:
Base-Base interactions energy: -175.045
where: short stacking energy: -71.895
Base-Backbone interact. energy: -0.156
local terms energy: -53.316615
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -7.684
flat angles C4'-P-C4' energy: -11.831
flat angles P-C4'-P energy: -3.211
tors. eta vs tors. theta energy: -18.690
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: 5, replica: 9
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -215.549621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.549621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.622801 (E_RNA)
where:
Base-Base interactions energy: -161.370
where: short stacking energy: -60.188
Base-Backbone interact. energy: -0.023
local terms energy: -54.229899
where:
bonds (distance) C4'-P energy: -9.589
bonds (distance) P-C4' energy: -12.053
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -5.228
tors. eta vs tors. theta energy: -12.546
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -205.006820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.006820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.010136 (E_RNA)
where:
Base-Base interactions energy: -156.173
where: short stacking energy: -61.710
Base-Backbone interact. energy: -0.031
local terms energy: -48.805954
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -8.849
flat angles C4'-P-C4' energy: -9.718
flat angles P-C4'-P energy: -6.163
tors. eta vs tors. theta energy: -10.193
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: 317
Temperature: 1.200000
Total energy: -197.814616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.814616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.958819 (E_RNA)
where:
Base-Base interactions energy: -140.464
where: short stacking energy: -55.039
Base-Backbone interact. energy: -0.008
local terms energy: -57.487300
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -11.818
flat angles C4'-P-C4' energy: -9.215
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -13.934
Dist. restrs. and SS energy: 0.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -185.963011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.963011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.527701 (E_RNA)
where:
Base-Base interactions energy: -136.514
where: short stacking energy: -61.907
Base-Backbone interact. energy: -0.084
local terms energy: -57.929757
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -7.896
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -15.999
Dist. restrs. and SS energy: 8.565 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -193.201282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.201282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.285180 (E_RNA)
where:
Base-Base interactions energy: -135.309
where: short stacking energy: -50.705
Base-Backbone interact. energy: -0.408
local terms energy: -57.567574
where:
bonds (distance) C4'-P energy: -12.425
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -9.660
flat angles P-C4'-P energy: -8.830
tors. eta vs tors. theta energy: -13.596
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -176.117413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.117413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.811716 (E_RNA)
where:
Base-Base interactions energy: -126.969
where: short stacking energy: -58.220
Base-Backbone interact. energy: -0.131
local terms energy: -57.711851
where:
bonds (distance) C4'-P energy: -8.637
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -11.171
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -14.995
Dist. restrs. and SS energy: 8.694 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -217.193089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.193089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.194441 (E_RNA)
where:
Base-Base interactions energy: -152.404
where: short stacking energy: -64.762
Base-Backbone interact. energy: -0.002
local terms energy: -64.788389
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -11.874
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -15.240
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -228.328320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.328320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.372640 (E_RNA)
where:
Base-Base interactions energy: -165.491
where: short stacking energy: -68.949
Base-Backbone interact. energy: -0.039
local terms energy: -62.842205
where:
bonds (distance) C4'-P energy: -9.867
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: -17.116
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -231.421475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.421475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.421475 (E_RNA)
where:
Base-Base interactions energy: -172.733
where: short stacking energy: -71.534
Base-Backbone interact. energy: -0.133
local terms energy: -58.555704
where:
bonds (distance) C4'-P energy: -7.678
bonds (distance) P-C4' energy: -14.736
flat angles C4'-P-C4' energy: -11.741
flat angles P-C4'-P energy: -5.749
tors. eta vs tors. theta energy: -18.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -221.776357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.776357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.825089 (E_RNA)
where:
Base-Base interactions energy: -161.024
where: short stacking energy: -63.212
Base-Backbone interact. energy: -1.056
local terms energy: -59.744695
where:
bonds (distance) C4'-P energy: -10.516
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -10.547
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -16.895
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -210.727231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.727231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.732708 (E_RNA)
where:
Base-Base interactions energy: -148.333
where: short stacking energy: -61.916
Base-Backbone interact. energy: -0.005
local terms energy: -62.394204
where:
bonds (distance) C4'-P energy: -11.916
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -9.967
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: -17.132
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: 9
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -210.966177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.966177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.313195 (E_RNA)
where:
Base-Base interactions energy: -150.881
where: short stacking energy: -59.538
Base-Backbone interact. energy: -0.075
local terms energy: -60.356911
where:
bonds (distance) C4'-P energy: -11.366
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -10.190
flat angles P-C4'-P energy: -6.753
tors. eta vs tors. theta energy: -16.286
Dist. restrs. and SS energy: 0.347 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -212.498456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.498456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.498456 (E_RNA)
where:
Base-Base interactions energy: -145.837
where: short stacking energy: -56.213
Base-Backbone interact. energy: -0.205
local terms energy: -66.456030
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -15.543
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -181.145036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.145036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.743322 (E_RNA)
where:
Base-Base interactions energy: -137.562
where: short stacking energy: -60.494
Base-Backbone interact. energy: -0.728
local terms energy: -50.453230
where:
bonds (distance) C4'-P energy: -8.251
bonds (distance) P-C4' energy: -8.098
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -12.115
Dist. restrs. and SS energy: 7.598 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -198.455976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.455976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.717361 (E_RNA)
where:
Base-Base interactions energy: -138.357
where: short stacking energy: -49.014
Base-Backbone interact. energy: -0.052
local terms energy: -60.308711
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -10.724
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -12.773
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: 4
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -184.364334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.364334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.778096 (E_RNA)
where:
Base-Base interactions energy: -139.187
where: short stacking energy: -56.606
Base-Backbone interact. energy: -0.001
local terms energy: -53.590366
where:
bonds (distance) C4'-P energy: -3.120
bonds (distance) P-C4' energy: -10.255
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -14.543
Dist. restrs. and SS energy: 8.414 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -230.900188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.900188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.936602 (E_RNA)
where:
Base-Base interactions energy: -166.892
where: short stacking energy: -69.959
Base-Backbone interact. energy: -0.411
local terms energy: -63.633356
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -12.080
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: -16.279
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -228.042040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.042040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.048597 (E_RNA)
where:
Base-Base interactions energy: -166.758
where: short stacking energy: -68.911
Base-Backbone interact. energy: 0.094
local terms energy: -61.384771
where:
bonds (distance) C4'-P energy: -9.490
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -4.532
tors. eta vs tors. theta energy: -19.017
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -228.514234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.514234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.532264 (E_RNA)
where:
Base-Base interactions energy: -172.728
where: short stacking energy: -68.254
Base-Backbone interact. energy: -0.025
local terms energy: -55.779289
where:
bonds (distance) C4'-P energy: -10.364
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: 0.187
tors. eta vs tors. theta energy: -18.243
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -209.229421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.229421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.261073 (E_RNA)
where:
Base-Base interactions energy: -147.703
where: short stacking energy: -57.995
Base-Backbone interact. energy: -0.200
local terms energy: -61.357316
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -11.102
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -13.304
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -201.164894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.164894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.193163 (E_RNA)
where:
Base-Base interactions energy: -139.946
where: short stacking energy: -56.541
Base-Backbone interact. energy: -0.022
local terms energy: -61.224872
where:
bonds (distance) C4'-P energy: -12.895
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -13.861
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -12.604
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -204.093255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.093255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.166357 (E_RNA)
where:
Base-Base interactions energy: -148.468
where: short stacking energy: -59.449
Base-Backbone interact. energy: -0.000
local terms energy: -55.698167
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -10.414
flat angles C4'-P-C4' energy: -11.126
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -11.963
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -195.661419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.661419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.689595 (E_RNA)
where:
Base-Base interactions energy: -136.858
where: short stacking energy: -54.964
Base-Backbone interact. energy: 0.309
local terms energy: -59.141016
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -10.208
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -8.107
tors. eta vs tors. theta energy: -16.183
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -204.744506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.744506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.749673 (E_RNA)
where:
Base-Base interactions energy: -138.226
where: short stacking energy: -59.080
Base-Backbone interact. energy: -0.001
local terms energy: -66.522494
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -11.600
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -18.120
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: 319
Temperature: 1.300000
Total energy: -179.225798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.225798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.606402 (E_RNA)
where:
Base-Base interactions energy: -126.444
where: short stacking energy: -54.894
Base-Backbone interact. energy: -0.232
local terms energy: -58.930960
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -5.631
tors. eta vs tors. theta energy: -14.361
Dist. restrs. and SS energy: 6.381 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -164.464236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.464236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.331865 (E_RNA)
where:
Base-Base interactions energy: -118.367
where: short stacking energy: -45.600
Base-Backbone interact. energy: -0.763
local terms energy: -50.201643
where:
bonds (distance) C4'-P energy: -5.751
bonds (distance) P-C4' energy: -10.789
flat angles C4'-P-C4' energy: -12.768
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -11.733
Dist. restrs. and SS energy: 4.868 (S_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: 320
Temperature: 0.900000
Total energy: -223.347130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.347130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.363488 (E_RNA)
where:
Base-Base interactions energy: -154.736
where: short stacking energy: -67.555
Base-Backbone interact. energy: -0.044
local terms energy: -68.583409
where:
bonds (distance) C4'-P energy: -11.212
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -13.763
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -18.240
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -220.262173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.262173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.435135 (E_RNA)
where:
Base-Base interactions energy: -148.464
where: short stacking energy: -66.634
Base-Backbone interact. energy: -0.002
local terms energy: -71.968860
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -17.341
Dist. restrs. and SS energy: 0.173 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -221.152798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.152798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.152859 (E_RNA)
where:
Base-Base interactions energy: -159.017
where: short stacking energy: -60.322
Base-Backbone interact. energy: -0.373
local terms energy: -61.762839
where:
bonds (distance) C4'-P energy: -9.775
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -18.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -225.885764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.885764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.946134 (E_RNA)
where:
Base-Base interactions energy: -161.804
where: short stacking energy: -62.558
Base-Backbone interact. energy: -0.614
local terms energy: -63.528719
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -11.881
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -17.023
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -208.808879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.808879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.861396 (E_RNA)
where:
Base-Base interactions energy: -146.117
where: short stacking energy: -53.104
Base-Backbone interact. energy: -0.000
local terms energy: -62.744503
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -15.471
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -205.633265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.633265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.691467 (E_RNA)
where:
Base-Base interactions energy: -156.860
where: short stacking energy: -62.459
Base-Backbone interact. energy: -0.559
local terms energy: -48.272562
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -8.806
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: 0.236
tors. eta vs tors. theta energy: -13.762
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: 320
Temperature: 1.200000
Total energy: -200.749667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.749667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.138423 (E_RNA)
where:
Base-Base interactions energy: -138.223
where: short stacking energy: -56.376
Base-Backbone interact. energy: -0.003
local terms energy: -62.913034
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -5.733
tors. eta vs tors. theta energy: -16.969
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: 8, replica: 9
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -196.804837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.804837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.818845 (E_RNA)
where:
Base-Base interactions energy: -139.896
where: short stacking energy: -54.566
Base-Backbone interact. energy: 0.392
local terms energy: -57.315254
where:
bonds (distance) C4'-P energy: -9.908
bonds (distance) P-C4' energy: -11.444
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -15.928
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: 9, replica: 4
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -168.677716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.677716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.999970 (E_RNA)
where:
Base-Base interactions energy: -126.068
where: short stacking energy: -48.987
Base-Backbone interact. energy: 0.689
local terms energy: -46.621437
where:
bonds (distance) C4'-P energy: -4.945
bonds (distance) P-C4' energy: -12.281
flat angles C4'-P-C4' energy: -12.036
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -8.721
Dist. restrs. and SS energy: 3.322 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -181.352185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.352185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.369781 (E_RNA)
where:
Base-Base interactions energy: -130.583
where: short stacking energy: -58.010
Base-Backbone interact. energy: -0.016
local terms energy: -58.771212
where:
bonds (distance) C4'-P energy: -9.516
bonds (distance) P-C4' energy: -9.672
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -16.023
Dist. restrs. and SS energy: 8.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -216.166705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.166705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.215176 (E_RNA)
where:
Base-Base interactions energy: -145.959
where: short stacking energy: -59.489
Base-Backbone interact. energy: -0.001
local terms energy: -70.255636
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -14.504
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -15.876
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -219.465403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.465403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.490917 (E_RNA)
where:
Base-Base interactions energy: -151.712
where: short stacking energy: -65.784
Base-Backbone interact. energy: -0.007
local terms energy: -67.771549
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -17.297
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -210.180615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.180615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.186354 (E_RNA)
where:
Base-Base interactions energy: -146.836
where: short stacking energy: -59.296
Base-Backbone interact. energy: -0.304
local terms energy: -63.045581
where:
bonds (distance) C4'-P energy: -11.172
bonds (distance) P-C4' energy: -10.334
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -17.053
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -221.059452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.059452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.119252 (E_RNA)
where:
Base-Base interactions energy: -156.433
where: short stacking energy: -65.682
Base-Backbone interact. energy: -0.002
local terms energy: -64.684205
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -7.471
tors. eta vs tors. theta energy: -14.801
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -219.883942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.883942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.001970 (E_RNA)
where:
Base-Base interactions energy: -158.221
where: short stacking energy: -59.448
Base-Backbone interact. energy: -0.017
local terms energy: -61.764408
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -3.654
tors. eta vs tors. theta energy: -15.599
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: 6, replica: 8
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -208.507180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.507180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.656855 (E_RNA)
where:
Base-Base interactions energy: -151.395
where: short stacking energy: -65.881
Base-Backbone interact. energy: -0.064
local terms energy: -57.197993
where:
bonds (distance) C4'-P energy: -12.429
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -8.724
flat angles P-C4'-P energy: -7.692
tors. eta vs tors. theta energy: -16.153
Dist. restrs. and SS energy: 0.150 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -206.020640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.020640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.042384 (E_RNA)
where:
Base-Base interactions energy: -145.279
where: short stacking energy: -60.801
Base-Backbone interact. energy: -0.009
local terms energy: -60.753752
where:
bonds (distance) C4'-P energy: -10.451
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -9.588
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -17.814
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: 321
Temperature: 1.250000
Total energy: -170.782170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.782170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.200652 (E_RNA)
where:
Base-Base interactions energy: -120.870
where: short stacking energy: -49.013
Base-Backbone interact. energy: 0.498
local terms energy: -50.828782
where:
bonds (distance) C4'-P energy: -7.027
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -4.180
tors. eta vs tors. theta energy: -12.586
Dist. restrs. and SS energy: 0.418 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -195.601351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.601351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.645620 (E_RNA)
where:
Base-Base interactions energy: -145.546
where: short stacking energy: -53.718
Base-Backbone interact. energy: -0.143
local terms energy: -49.956488
where:
bonds (distance) C4'-P energy: -9.191
bonds (distance) P-C4' energy: -11.788
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -0.268
tors. eta vs tors. theta energy: -16.136
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: 5
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -194.714694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.714694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.357942 (E_RNA)
where:
Base-Base interactions energy: -135.584
where: short stacking energy: -59.767
Base-Backbone interact. energy: -0.201
local terms energy: -65.572944
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -5.866
tors. eta vs tors. theta energy: -17.788
Dist. restrs. and SS energy: 6.643 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -220.613132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.613132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.613132 (E_RNA)
where:
Base-Base interactions energy: -151.367
where: short stacking energy: -57.048
Base-Backbone interact. energy: -0.029
local terms energy: -69.217149
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: -19.535
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -220.824849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.824849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.865960 (E_RNA)
where:
Base-Base interactions energy: -150.033
where: short stacking energy: -60.210
Base-Backbone interact. energy: -0.001
local terms energy: -70.832006
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -15.172
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -17.634
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: 7
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -204.534411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.534411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.545296 (E_RNA)
where:
Base-Base interactions energy: -154.173
where: short stacking energy: -55.844
Base-Backbone interact. energy: -0.049
local terms energy: -50.323224
where:
bonds (distance) C4'-P energy: -10.484
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -9.374
flat angles P-C4'-P energy: -5.068
tors. eta vs tors. theta energy: -12.998
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: 322
Temperature: 1.050000
Total energy: -216.580620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.580620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.811431 (E_RNA)
where:
Base-Base interactions energy: -155.449
where: short stacking energy: -64.566
Base-Backbone interact. energy: -0.022
local terms energy: -61.341010
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -12.067
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -4.852
tors. eta vs tors. theta energy: -18.542
Dist. restrs. and SS energy: 0.231 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -210.263072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.263072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.292391 (E_RNA)
where:
Base-Base interactions energy: -146.780
where: short stacking energy: -63.157
Base-Backbone interact. energy: -0.010
local terms energy: -63.502497
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -10.940
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -9.507
tors. eta vs tors. theta energy: -15.448
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: 10
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -201.855343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.855343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.901283 (E_RNA)
where:
Base-Base interactions energy: -142.333
where: short stacking energy: -55.828
Base-Backbone interact. energy: -0.076
local terms energy: -59.492458
where:
bonds (distance) C4'-P energy: -7.834
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -15.080
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -196.080433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.080433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.127852 (E_RNA)
where:
Base-Base interactions energy: -138.435
where: short stacking energy: -54.592
Base-Backbone interact. energy: -0.003
local terms energy: -57.689614
where:
bonds (distance) C4'-P energy: -10.749
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -5.082
tors. eta vs tors. theta energy: -17.105
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -198.122760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.122760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.122760 (E_RNA)
where:
Base-Base interactions energy: -138.374
where: short stacking energy: -51.824
Base-Backbone interact. energy: -0.015
local terms energy: -59.733802
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -10.346
flat angles P-C4'-P energy: -8.033
tors. eta vs tors. theta energy: -14.912
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -173.783266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.783266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.981668 (E_RNA)
where:
Base-Base interactions energy: -124.998
where: short stacking energy: -55.026
Base-Backbone interact. energy: -0.001
local terms energy: -56.981814
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -8.694
flat angles C4'-P-C4' energy: -10.694
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -17.231
Dist. restrs. and SS energy: 8.198 (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: 322
Temperature: 1.350000
Total energy: -192.939621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.939621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.983798 (E_RNA)
where:
Base-Base interactions energy: -136.484
where: short stacking energy: -56.515
Base-Backbone interact. energy: -0.026
local terms energy: -56.474293
where:
bonds (distance) C4'-P energy: -7.937
bonds (distance) P-C4' energy: -9.463
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -14.346
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: 2
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -223.158640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.158640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.322857 (E_RNA)
where:
Base-Base interactions energy: -155.338
where: short stacking energy: -67.075
Base-Backbone interact. energy: -0.002
local terms energy: -67.982327
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -13.799
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -17.368
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: 6
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -220.102811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.102811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.218923 (E_RNA)
where:
Base-Base interactions energy: -154.861
where: short stacking energy: -67.862
Base-Backbone interact. energy: -0.020
local terms energy: -65.338084
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -7.024
tors. eta vs tors. theta energy: -17.086
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -224.251541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.251541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.310999 (E_RNA)
where:
Base-Base interactions energy: -163.320
where: short stacking energy: -65.789
Base-Backbone interact. energy: -0.006
local terms energy: -60.985422
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -16.910
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -214.421826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.421826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.518077 (E_RNA)
where:
Base-Base interactions energy: -151.731
where: short stacking energy: -62.769
Base-Backbone interact. energy: -0.001
local terms energy: -62.786070
where:
bonds (distance) C4'-P energy: -9.851
bonds (distance) P-C4' energy: -10.438
flat angles C4'-P-C4' energy: -15.837
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -17.229
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -202.115650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.115650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.170535 (E_RNA)
where:
Base-Base interactions energy: -135.403
where: short stacking energy: -51.991
Base-Backbone interact. energy: -0.142
local terms energy: -66.625668
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -12.264
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: 3
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -209.622238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.622238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.686403 (E_RNA)
where:
Base-Base interactions energy: -144.370
where: short stacking energy: -58.661
Base-Backbone interact. energy: -0.001
local terms energy: -65.315695
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -15.579
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -203.091740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.091740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.125580 (E_RNA)
where:
Base-Base interactions energy: -146.105
where: short stacking energy: -60.024
Base-Backbone interact. energy: -0.075
local terms energy: -56.946116
where:
bonds (distance) C4'-P energy: -8.501
bonds (distance) P-C4' energy: -11.256
flat angles C4'-P-C4' energy: -10.369
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -18.089
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -186.266712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.266712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.057934 (E_RNA)
where:
Base-Base interactions energy: -131.361
where: short stacking energy: -54.778
Base-Backbone interact. energy: 0.598
local terms energy: -63.294616
where:
bonds (distance) C4'-P energy: -9.203
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -15.625
Dist. restrs. and SS energy: 7.791 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -196.604195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.604195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.625793 (E_RNA)
where:
Base-Base interactions energy: -141.109
where: short stacking energy: -55.999
Base-Backbone interact. energy: -0.281
local terms energy: -55.235795
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -11.960
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -5.255
tors. eta vs tors. theta energy: -13.367
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: 9
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -195.862102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.862102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.227865 (E_RNA)
where:
Base-Base interactions energy: -135.446
where: short stacking energy: -57.705
Base-Backbone interact. energy: -0.039
local terms energy: -60.742638
where:
bonds (distance) C4'-P energy: -11.776
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -11.109
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -15.098
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: 1, replica: 6
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -225.978923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.978923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.052066 (E_RNA)
where:
Base-Base interactions energy: -165.332
where: short stacking energy: -68.832
Base-Backbone interact. energy: -0.000
local terms energy: -60.719557
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -2.667
tors. eta vs tors. theta energy: -17.105
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -217.613151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.613151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.629150 (E_RNA)
where:
Base-Base interactions energy: -155.457
where: short stacking energy: -65.202
Base-Backbone interact. energy: -0.003
local terms energy: -62.168824
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -10.439
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -16.675
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -217.319110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.319110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.357331 (E_RNA)
where:
Base-Base interactions energy: -148.951
where: short stacking energy: -61.423
Base-Backbone interact. energy: -0.399
local terms energy: -68.007121
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -16.172
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: 7
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -216.251991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.251991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.262228 (E_RNA)
where:
Base-Base interactions energy: -161.479
where: short stacking energy: -64.609
Base-Backbone interact. energy: -0.009
local terms energy: -54.773700
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -0.760
tors. eta vs tors. theta energy: -16.797
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: 8
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -205.496289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.496289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.539282 (E_RNA)
where:
Base-Base interactions energy: -144.427
where: short stacking energy: -62.208
Base-Backbone interact. energy: -0.326
local terms energy: -60.786623
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -14.574
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: 324
Temperature: 1.150000
Total energy: -206.415787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.415787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.495451 (E_RNA)
where:
Base-Base interactions energy: -149.276
where: short stacking energy: -62.097
Base-Backbone interact. energy: 1.459
local terms energy: -58.678478
where:
bonds (distance) C4'-P energy: -5.757
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -11.439
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -15.051
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: 5
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -195.570035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.570035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.784066 (E_RNA)
where:
Base-Base interactions energy: -142.997
where: short stacking energy: -58.186
Base-Backbone interact. energy: -0.273
local terms energy: -59.514758
where:
bonds (distance) C4'-P energy: -8.838
bonds (distance) P-C4' energy: -8.308
flat angles C4'-P-C4' energy: -10.783
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -19.964
Dist. restrs. and SS energy: 7.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -201.120203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.120203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.272838 (E_RNA)
where:
Base-Base interactions energy: -150.490
where: short stacking energy: -53.359
Base-Backbone interact. energy: -0.188
local terms energy: -50.594422
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -9.389
flat angles C4'-P-C4' energy: -8.323
flat angles P-C4'-P energy: -4.976
tors. eta vs tors. theta energy: -14.044
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: 9
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -199.176068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.176068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.269810 (E_RNA)
where:
Base-Base interactions energy: -142.296
where: short stacking energy: -50.108
Base-Backbone interact. energy: -0.000
local terms energy: -56.973136
where:
bonds (distance) C4'-P energy: -10.906
bonds (distance) P-C4' energy: -12.096
flat angles C4'-P-C4' energy: -11.017
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -15.242
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: 4
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -191.864429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.864429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.898570 (E_RNA)
where:
Base-Base interactions energy: -137.958
where: short stacking energy: -52.610
Base-Backbone interact. energy: 0.096
local terms energy: -54.037457
where:
bonds (distance) C4'-P energy: -6.199
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -13.580
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -13.993
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: 325
Temperature: 0.900000
Total energy: -223.220884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.220884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.279225 (E_RNA)
where:
Base-Base interactions energy: -154.739
where: short stacking energy: -62.285
Base-Backbone interact. energy: -0.000
local terms energy: -68.539454
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -15.870
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -220.736017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.736017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.813069 (E_RNA)
where:
Base-Base interactions energy: -159.498
where: short stacking energy: -64.780
Base-Backbone interact. energy: -0.273
local terms energy: -61.042709
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -12.349
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -15.824
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: 325
Temperature: 1.000000
Total energy: -210.950733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.950733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.984562 (E_RNA)
where:
Base-Base interactions energy: -144.378
where: short stacking energy: -60.244
Base-Backbone interact. energy: -0.099
local terms energy: -66.507420
where:
bonds (distance) C4'-P energy: -11.013
bonds (distance) P-C4' energy: -12.189
flat angles C4'-P-C4' energy: -15.441
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -16.960
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -209.767859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.767859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.776903 (E_RNA)
where:
Base-Base interactions energy: -143.873
where: short stacking energy: -60.459
Base-Backbone interact. energy: -0.001
local terms energy: -65.902965
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -16.204
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -207.584612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.584612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.602681 (E_RNA)
where:
Base-Base interactions energy: -144.621
where: short stacking energy: -58.307
Base-Backbone interact. energy: -0.172
local terms energy: -62.809218
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -14.489
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: 3
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -202.103703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.103703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.219817 (E_RNA)
where:
Base-Base interactions energy: -138.713
where: short stacking energy: -54.728
Base-Backbone interact. energy: -0.039
local terms energy: -63.468387
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -14.943
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -178.660778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.660778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.332481 (E_RNA)
where:
Base-Base interactions energy: -126.510
where: short stacking energy: -49.486
Base-Backbone interact. energy: -0.041
local terms energy: -59.781457
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -9.976
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -13.086
Dist. restrs. and SS energy: 7.672 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -202.662838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.662838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.740243 (E_RNA)
where:
Base-Base interactions energy: -145.908
where: short stacking energy: -58.546
Base-Backbone interact. energy: -0.586
local terms energy: -56.246998
where:
bonds (distance) C4'-P energy: -8.734
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -10.906
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -16.463
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -191.912491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.912491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.945728 (E_RNA)
where:
Base-Base interactions energy: -136.384
where: short stacking energy: -55.020
Base-Backbone interact. energy: -0.034
local terms energy: -55.527668
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -8.166
flat angles C4'-P-C4' energy: -9.732
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -13.614
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -191.824444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.824444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.897696 (E_RNA)
where:
Base-Base interactions energy: -132.763
where: short stacking energy: -52.309
Base-Backbone interact. energy: -0.813
local terms energy: -58.322443
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -11.375
flat angles C4'-P-C4' energy: -11.038
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -14.739
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: 1
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -221.780203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.780203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.939057 (E_RNA)
where:
Base-Base interactions energy: -160.705
where: short stacking energy: -64.896
Base-Backbone interact. energy: -0.047
local terms energy: -61.187518
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -12.972
flat angles P-C4'-P energy: -6.314
tors. eta vs tors. theta energy: -13.654
Dist. restrs. and SS energy: 0.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -222.028087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.028087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.028087 (E_RNA)
where:
Base-Base interactions energy: -162.884
where: short stacking energy: -66.269
Base-Backbone interact. energy: 0.286
local terms energy: -59.430826
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -5.984
tors. eta vs tors. theta energy: -16.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -214.253270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.253270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.329737 (E_RNA)
where:
Base-Base interactions energy: -145.242
where: short stacking energy: -62.567
Base-Backbone interact. energy: -0.006
local terms energy: -69.082352
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -11.953
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -20.109
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -207.478744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.478744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.497266 (E_RNA)
where:
Base-Base interactions energy: -141.733
where: short stacking energy: -59.554
Base-Backbone interact. energy: -0.007
local terms energy: -65.757277
where:
bonds (distance) C4'-P energy: -10.750
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -17.664
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -204.485667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.485667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.584247 (E_RNA)
where:
Base-Base interactions energy: -144.884
where: short stacking energy: -55.053
Base-Backbone interact. energy: -0.076
local terms energy: -59.624424
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -10.610
flat angles C4'-P-C4' energy: -8.524
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -16.662
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -211.417630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.417630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.468107 (E_RNA)
where:
Base-Base interactions energy: -160.403
where: short stacking energy: -63.188
Base-Backbone interact. energy: -0.019
local terms energy: -51.045671
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -8.836
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -4.640
tors. eta vs tors. theta energy: -13.900
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -201.240480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.240480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.308305 (E_RNA)
where:
Base-Base interactions energy: -140.129
where: short stacking energy: -56.579
Base-Backbone interact. energy: -0.003
local terms energy: -61.176760
where:
bonds (distance) C4'-P energy: -11.620
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -15.794
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -179.433369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.433369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.232885 (E_RNA)
where:
Base-Base interactions energy: -135.980
where: short stacking energy: -55.832
Base-Backbone interact. energy: -0.711
local terms energy: -50.542846
where:
bonds (distance) C4'-P energy: -8.513
bonds (distance) P-C4' energy: -5.687
flat angles C4'-P-C4' energy: -11.880
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -12.737
Dist. restrs. and SS energy: 7.800 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -194.630707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.630707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.645485 (E_RNA)
where:
Base-Base interactions energy: -132.083
where: short stacking energy: -49.251
Base-Backbone interact. energy: -0.291
local terms energy: -62.270831
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -12.083
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: 10
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -193.555024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.555024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.555024 (E_RNA)
where:
Base-Base interactions energy: -132.032
where: short stacking energy: -49.819
Base-Backbone interact. energy: -0.242
local terms energy: -61.281250
where:
bonds (distance) C4'-P energy: -7.835
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -13.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -219.729940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.729940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.754497 (E_RNA)
where:
Base-Base interactions energy: -150.044
where: short stacking energy: -65.887
Base-Backbone interact. energy: -0.019
local terms energy: -69.692290
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -19.611
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -220.200364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.200364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.219671 (E_RNA)
where:
Base-Base interactions energy: -157.661
where: short stacking energy: -64.013
Base-Backbone interact. energy: -0.017
local terms energy: -62.541938
where:
bonds (distance) C4'-P energy: -10.228
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -12.557
flat angles P-C4'-P energy: -7.140
tors. eta vs tors. theta energy: -17.923
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -226.953623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.953623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.973158 (E_RNA)
where:
Base-Base interactions energy: -165.285
where: short stacking energy: -61.902
Base-Backbone interact. energy: -0.000
local terms energy: -61.687387
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -10.746
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -3.623
tors. eta vs tors. theta energy: -18.899
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -213.188123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.188123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.202642 (E_RNA)
where:
Base-Base interactions energy: -151.377
where: short stacking energy: -66.611
Base-Backbone interact. energy: -0.001
local terms energy: -61.824236
where:
bonds (distance) C4'-P energy: -9.332
bonds (distance) P-C4' energy: -11.956
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -15.358
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -207.611081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.611081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.613008 (E_RNA)
where:
Base-Base interactions energy: -142.678
where: short stacking energy: -59.877
Base-Backbone interact. energy: -0.000
local terms energy: -64.934757
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -17.139
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -205.488798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.488798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.571087 (E_RNA)
where:
Base-Base interactions energy: -141.956
where: short stacking energy: -53.507
Base-Backbone interact. energy: 0.399
local terms energy: -64.013892
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -6.813
tors. eta vs tors. theta energy: -14.360
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: 3
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -202.047847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.047847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.342842 (E_RNA)
where:
Base-Base interactions energy: -145.352
where: short stacking energy: -59.976
Base-Backbone interact. energy: -0.010
local terms energy: -56.980355
where:
bonds (distance) C4'-P energy: -10.120
bonds (distance) P-C4' energy: -12.047
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -4.745
tors. eta vs tors. theta energy: -15.249
Dist. restrs. and SS energy: 0.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -197.889478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.889478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.889478 (E_RNA)
where:
Base-Base interactions energy: -135.601
where: short stacking energy: -52.410
Base-Backbone interact. energy: -0.165
local terms energy: -62.123881
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -15.113
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -191.947483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.947483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.688817 (E_RNA)
where:
Base-Base interactions energy: -138.513
where: short stacking energy: -61.328
Base-Backbone interact. energy: -0.522
local terms energy: -60.653847
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -11.566
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -14.581
Dist. restrs. and SS energy: 7.741 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -199.280444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.280444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.280444 (E_RNA)
where:
Base-Base interactions energy: -140.103
where: short stacking energy: -57.258
Base-Backbone interact. energy: -0.000
local terms energy: -59.177288
where:
bonds (distance) C4'-P energy: -9.734
bonds (distance) P-C4' energy: -12.380
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -7.664
tors. eta vs tors. theta energy: -15.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -218.557281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.557281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.557281 (E_RNA)
where:
Base-Base interactions energy: -150.076
where: short stacking energy: -64.572
Base-Backbone interact. energy: -0.001
local terms energy: -68.479487
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -17.879
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -218.438812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.438812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.438812 (E_RNA)
where:
Base-Base interactions energy: -153.417
where: short stacking energy: -65.365
Base-Backbone interact. energy: -0.255
local terms energy: -64.766293
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -10.907
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -10.245
tors. eta vs tors. theta energy: -16.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -225.365889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.365889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.483265 (E_RNA)
where:
Base-Base interactions energy: -153.787
where: short stacking energy: -64.553
Base-Backbone interact. energy: -0.000
local terms energy: -71.695749
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -13.077
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -18.853
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: 328
Temperature: 1.050000
Total energy: -223.079998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.079998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.092212 (E_RNA)
where:
Base-Base interactions energy: -161.946
where: short stacking energy: -65.673
Base-Backbone interact. energy: -0.001
local terms energy: -61.144855
where:
bonds (distance) C4'-P energy: -11.320
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -7.152
tors. eta vs tors. theta energy: -16.916
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -205.158275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.158275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.181791 (E_RNA)
where:
Base-Base interactions energy: -142.738
where: short stacking energy: -57.711
Base-Backbone interact. energy: -0.306
local terms energy: -62.137948
where:
bonds (distance) C4'-P energy: -9.409
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -13.068
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: 8
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -205.639438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.639438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.648817 (E_RNA)
where:
Base-Base interactions energy: -141.509
where: short stacking energy: -58.492
Base-Backbone interact. energy: 0.282
local terms energy: -64.421608
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -12.904
flat angles C4'-P-C4' energy: -12.011
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -13.462
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: 4
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -207.297790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.297790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.382568 (E_RNA)
where:
Base-Base interactions energy: -143.159
where: short stacking energy: -61.258
Base-Backbone interact. energy: 0.969
local terms energy: -65.192378
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -14.106
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -6.919
tors. eta vs tors. theta energy: -16.986
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: 3
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -201.559789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.559789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.648758 (E_RNA)
where:
Base-Base interactions energy: -140.123
where: short stacking energy: -50.203
Base-Backbone interact. energy: -0.326
local terms energy: -61.199862
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -11.178
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -12.878
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: 10
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -189.689518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.689518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.211636 (E_RNA)
where:
Base-Base interactions energy: -136.317
where: short stacking energy: -56.590
Base-Backbone interact. energy: -0.023
local terms energy: -53.871831
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -9.217
flat angles P-C4'-P energy: -2.768
tors. eta vs tors. theta energy: -14.643
Dist. restrs. and SS energy: 0.522 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -171.447753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.447753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.291000 (E_RNA)
where:
Base-Base interactions energy: -121.301
where: short stacking energy: -50.814
Base-Backbone interact. energy: 0.053
local terms energy: -58.043276
where:
bonds (distance) C4'-P energy: -8.489
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -6.482
tors. eta vs tors. theta energy: -15.225
Dist. restrs. and SS energy: 7.843 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -219.206218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.206218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.220060 (E_RNA)
where:
Base-Base interactions energy: -151.519
where: short stacking energy: -64.156
Base-Backbone interact. energy: -0.001
local terms energy: -67.700450
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -14.788
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -223.993130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.993130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.034238 (E_RNA)
where:
Base-Base interactions energy: -155.900
where: short stacking energy: -61.094
Base-Backbone interact. energy: -0.000
local terms energy: -68.134010
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -15.104
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: 7
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -204.580249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.580249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.580249 (E_RNA)
where:
Base-Base interactions energy: -143.608
where: short stacking energy: -65.920
Base-Backbone interact. energy: 0.569
local terms energy: -61.541981
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -9.177
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -16.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -219.730902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.730902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.192571 (E_RNA)
where:
Base-Base interactions energy: -157.558
where: short stacking energy: -61.629
Base-Backbone interact. energy: -0.004
local terms energy: -62.630293
where:
bonds (distance) C4'-P energy: -10.170
bonds (distance) P-C4' energy: -12.012
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -16.835
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: 5, replica: 9
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -210.352157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.352157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.422256 (E_RNA)
where:
Base-Base interactions energy: -150.919
where: short stacking energy: -58.341
Base-Backbone interact. energy: 0.147
local terms energy: -59.651010
where:
bonds (distance) C4'-P energy: -8.313
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -13.272
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: 8
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -213.307473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.307473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.388304 (E_RNA)
where:
Base-Base interactions energy: -149.116
where: short stacking energy: -64.857
Base-Backbone interact. energy: -0.397
local terms energy: -63.874796
where:
bonds (distance) C4'-P energy: -10.162
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -16.286
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -199.063743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.063743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.075699 (E_RNA)
where:
Base-Base interactions energy: -136.832
where: short stacking energy: -59.365
Base-Backbone interact. energy: -0.588
local terms energy: -61.655684
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -10.906
flat angles P-C4'-P energy: -12.331
tors. eta vs tors. theta energy: -12.403
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -205.844779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.844779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.863855 (E_RNA)
where:
Base-Base interactions energy: -144.883
where: short stacking energy: -60.091
Base-Backbone interact. energy: -0.140
local terms energy: -60.841133
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -11.518
flat angles C4'-P-C4' energy: -12.108
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -14.552
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -204.126133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.126133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.159284 (E_RNA)
where:
Base-Base interactions energy: -150.154
where: short stacking energy: -58.018
Base-Backbone interact. energy: 0.097
local terms energy: -54.101813
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -12.780
flat angles P-C4'-P energy: -4.607
tors. eta vs tors. theta energy: -11.995
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -176.731585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.731585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.012160 (E_RNA)
where:
Base-Base interactions energy: -128.962
where: short stacking energy: -57.317
Base-Backbone interact. energy: -0.034
local terms energy: -55.016565
where:
bonds (distance) C4'-P energy: -10.064
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: -11.057
Dist. restrs. and SS energy: 7.281 (S_DIST_RNA)
chem. 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: -221.431346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.431346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.554051 (E_RNA)
where:
Base-Base interactions energy: -151.448
where: short stacking energy: -65.311
Base-Backbone interact. energy: -0.001
local terms energy: -70.105152
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -11.976
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -19.070
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: 1
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -218.842925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.842925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.924209 (E_RNA)
where:
Base-Base interactions energy: -150.832
where: short stacking energy: -62.238
Base-Backbone interact. energy: 0.309
local terms energy: -68.401758
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -15.878
Dist. restrs. and SS energy: 0.081 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -213.681096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.681096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.740055 (E_RNA)
where:
Base-Base interactions energy: -146.019
where: short stacking energy: -62.398
Base-Backbone interact. energy: -0.002
local terms energy: -67.718630
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -12.053
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -15.121
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -202.428621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.428621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.442207 (E_RNA)
where:
Base-Base interactions energy: -145.632
where: short stacking energy: -57.920
Base-Backbone interact. energy: -0.504
local terms energy: -56.307076
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -9.373
flat angles C4'-P-C4' energy: -12.631
flat angles P-C4'-P energy: -5.639
tors. eta vs tors. theta energy: -16.305
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -209.406414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.406414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.651103 (E_RNA)
where:
Base-Base interactions energy: -155.055
where: short stacking energy: -60.656
Base-Backbone interact. energy: -0.022
local terms energy: -54.574822
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -9.421
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -3.340
tors. eta vs tors. theta energy: -17.297
Dist. restrs. and SS energy: 0.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -212.350260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.350260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.369073 (E_RNA)
where:
Base-Base interactions energy: -153.889
where: short stacking energy: -57.227
Base-Backbone interact. energy: -0.078
local terms energy: -58.402340
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -12.200
flat angles P-C4'-P energy: -6.173
tors. eta vs tors. theta energy: -13.252
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -203.304722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.304722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.395036 (E_RNA)
where:
Base-Base interactions energy: -140.973
where: short stacking energy: -56.258
Base-Backbone interact. energy: -0.184
local terms energy: -62.238452
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -10.819
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: 4
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -196.804684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.804684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.810232 (E_RNA)
where:
Base-Base interactions energy: -149.818
where: short stacking energy: -54.342
Base-Backbone interact. energy: -0.064
local terms energy: -46.928203
where:
bonds (distance) C4'-P energy: -8.079
bonds (distance) P-C4' energy: -11.463
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -5.903
tors. eta vs tors. theta energy: -8.937
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: 9, replica: 5
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -188.772438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.772438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.393897 (E_RNA)
where:
Base-Base interactions energy: -135.615
where: short stacking energy: -58.982
Base-Backbone interact. energy: -0.003
local terms energy: -60.775668
where:
bonds (distance) C4'-P energy: -11.033
bonds (distance) P-C4' energy: -11.890
flat angles C4'-P-C4' energy: -12.039
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -16.018
Dist. restrs. and SS energy: 7.621 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -200.155819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.155819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.198526 (E_RNA)
where:
Base-Base interactions energy: -138.434
where: short stacking energy: -52.213
Base-Backbone interact. energy: 0.351
local terms energy: -62.115037
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -13.066
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -13.799
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -237.009744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.009744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.009744 (E_RNA)
where:
Base-Base interactions energy: -173.175
where: short stacking energy: -69.255
Base-Backbone interact. energy: -0.337
local terms energy: -63.497811
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -6.397
tors. eta vs tors. theta energy: -16.308
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -223.093262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.093262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.093262 (E_RNA)
where:
Base-Base interactions energy: -167.408
where: short stacking energy: -66.910
Base-Backbone interact. energy: -0.005
local terms energy: -55.680188
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -4.170
tors. eta vs tors. theta energy: -13.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -215.216074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.216074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.216079 (E_RNA)
where:
Base-Base interactions energy: -150.997
where: short stacking energy: -66.172
Base-Backbone interact. energy: -0.166
local terms energy: -64.053870
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -8.184
tors. eta vs tors. theta energy: -14.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -216.485405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.485405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.485405 (E_RNA)
where:
Base-Base interactions energy: -162.705
where: short stacking energy: -60.827
Base-Backbone interact. energy: -0.176
local terms energy: -53.604242
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -9.938
flat angles P-C4'-P energy: -2.882
tors. eta vs tors. theta energy: -14.037
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -208.785829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.785829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.254648 (E_RNA)
where:
Base-Base interactions energy: -143.763
where: short stacking energy: -60.457
Base-Backbone interact. energy: -0.301
local terms energy: -65.190397
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -15.004
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: 6, replica: 8
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -208.400097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.400097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.420774 (E_RNA)
where:
Base-Base interactions energy: -151.406
where: short stacking energy: -58.526
Base-Backbone interact. energy: -0.001
local terms energy: -57.013586
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -2.054
tors. eta vs tors. theta energy: -12.401
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: 3
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -206.048652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.048652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.141350 (E_RNA)
where:
Base-Base interactions energy: -146.445
where: short stacking energy: -62.828
Base-Backbone interact. energy: -0.000
local terms energy: -59.696397
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -9.237
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -16.917
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -201.654108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.654108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.728466 (E_RNA)
where:
Base-Base interactions energy: -143.066
where: short stacking energy: -54.136
Base-Backbone interact. energy: -0.084
local terms energy: -58.579060
where:
bonds (distance) C4'-P energy: -12.235
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -11.685
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -14.177
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -181.439052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.439052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.349001 (E_RNA)
where:
Base-Base interactions energy: -130.553
where: short stacking energy: -54.230
Base-Backbone interact. energy: 1.001
local terms energy: -59.796917
where:
bonds (distance) C4'-P energy: -11.047
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -11.771
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: -15.684
Dist. restrs. and SS energy: 7.910 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -191.951287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.951287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.962145 (E_RNA)
where:
Base-Base interactions energy: -137.553
where: short stacking energy: -52.030
Base-Backbone interact. energy: -0.630
local terms energy: -53.779346
where:
bonds (distance) C4'-P energy: -6.547
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -5.404
tors. eta vs tors. theta energy: -14.213
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: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -238.433657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.433657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.458697 (E_RNA)
where:
Base-Base interactions energy: -176.372
where: short stacking energy: -71.766
Base-Backbone interact. energy: -0.474
local terms energy: -61.612712
where:
bonds (distance) C4'-P energy: -10.861
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -5.272
tors. eta vs tors. theta energy: -15.794
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -224.849228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.849228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.963661 (E_RNA)
where:
Base-Base interactions energy: -162.145
where: short stacking energy: -68.270
Base-Backbone interact. energy: -0.007
local terms energy: -62.812110
where:
bonds (distance) C4'-P energy: -9.750
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: -17.508
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: 9
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -214.666221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.666221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.687839 (E_RNA)
where:
Base-Base interactions energy: -150.127
where: short stacking energy: -60.759
Base-Backbone interact. energy: -0.004
local terms energy: -64.557325
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -11.207
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -16.042
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -210.527540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.527540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.773042 (E_RNA)
where:
Base-Base interactions energy: -148.799
where: short stacking energy: -59.237
Base-Backbone interact. energy: 0.023
local terms energy: -61.996374
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -5.731
tors. eta vs tors. theta energy: -13.000
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: 5, replica: 8
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -205.721698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.721698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.780840 (E_RNA)
where:
Base-Base interactions energy: -136.009
where: short stacking energy: -52.791
Base-Backbone interact. energy: -0.060
local terms energy: -69.711733
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -13.138
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -15.756
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -207.914287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.914287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.091312 (E_RNA)
where:
Base-Base interactions energy: -143.942
where: short stacking energy: -58.815
Base-Backbone interact. energy: -0.188
local terms energy: -63.960700
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -16.461
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -7.934
tors. eta vs tors. theta energy: -15.032
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -197.080088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.080088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.138830 (E_RNA)
where:
Base-Base interactions energy: -151.427
where: short stacking energy: -59.364
Base-Backbone interact. energy: -0.162
local terms energy: -45.550279
where:
bonds (distance) C4'-P energy: -6.115
bonds (distance) P-C4' energy: -9.632
flat angles C4'-P-C4' energy: -10.144
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -12.358
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: 3
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -196.000804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.000804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.123387 (E_RNA)
where:
Base-Base interactions energy: -138.283
where: short stacking energy: -53.308
Base-Backbone interact. energy: -0.050
local terms energy: -57.790043
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -11.871
flat angles P-C4'-P energy: -6.782
tors. eta vs tors. theta energy: -12.734
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -195.889387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.889387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.937473 (E_RNA)
where:
Base-Base interactions energy: -135.235
where: short stacking energy: -54.081
Base-Backbone interact. energy: -0.001
local terms energy: -60.701775
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -8.372
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -15.046
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: 10, replica: 5
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -176.745179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.745179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.987949 (E_RNA)
where:
Base-Base interactions energy: -124.903
where: short stacking energy: -53.304
Base-Backbone interact. energy: -0.020
local terms energy: -59.065503
where:
bonds (distance) C4'-P energy: -9.482
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -12.508
Dist. restrs. and SS energy: 7.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -237.687323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.687323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.719226 (E_RNA)
where:
Base-Base interactions energy: -172.194
where: short stacking energy: -65.461
Base-Backbone interact. energy: -0.003
local terms energy: -65.522867
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -4.625
tors. eta vs tors. theta energy: -17.466
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: 333
Temperature: 0.950000
Total energy: -217.817486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.817486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.863703 (E_RNA)
where:
Base-Base interactions energy: -150.993
where: short stacking energy: -59.155
Base-Backbone interact. energy: -0.007
local terms energy: -66.863558
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -12.683
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -6.567
tors. eta vs tors. theta energy: -17.963
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -208.561485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.561485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.617613 (E_RNA)
where:
Base-Base interactions energy: -142.837
where: short stacking energy: -59.871
Base-Backbone interact. energy: -0.003
local terms energy: -65.778406
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -17.834
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -211.950095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.950095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.029612 (E_RNA)
where:
Base-Base interactions energy: -149.245
where: short stacking energy: -57.963
Base-Backbone interact. energy: -0.110
local terms energy: -62.674956
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -12.366
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -7.868
tors. eta vs tors. theta energy: -14.614
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -211.805302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.805302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.805302 (E_RNA)
where:
Base-Base interactions energy: -141.974
where: short stacking energy: -59.390
Base-Backbone interact. energy: -0.302
local terms energy: -69.529036
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -17.685
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -206.270527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.270527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.270527 (E_RNA)
where:
Base-Base interactions energy: -141.975
where: short stacking energy: -55.719
Base-Backbone interact. energy: -0.099
local terms energy: -64.196308
where:
bonds (distance) C4'-P energy: -10.422
bonds (distance) P-C4' energy: -15.016
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -12.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -199.726230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.726230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.814095 (E_RNA)
where:
Base-Base interactions energy: -145.088
where: short stacking energy: -56.357
Base-Backbone interact. energy: -0.080
local terms energy: -54.645578
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -10.486
flat angles C4'-P-C4' energy: -11.561
flat angles P-C4'-P energy: -5.300
tors. eta vs tors. theta energy: -14.818
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: 10
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -194.752252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.752252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.833991 (E_RNA)
where:
Base-Base interactions energy: -136.543
where: short stacking energy: -54.923
Base-Backbone interact. energy: -0.023
local terms energy: -58.268388
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -10.498
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -12.674
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: 3
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -194.120935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.120935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.120935 (E_RNA)
where:
Base-Base interactions energy: -138.707
where: short stacking energy: -53.784
Base-Backbone interact. energy: -0.033
local terms energy: -55.381037
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -10.082
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -4.685
tors. eta vs tors. theta energy: -12.465
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -171.631079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.631079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.892906 (E_RNA)
where:
Base-Base interactions energy: -122.813
where: short stacking energy: -54.523
Base-Backbone interact. energy: -1.254
local terms energy: -53.825978
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -10.531
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -11.921
Dist. restrs. and SS energy: 6.262 (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: 1
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -220.192304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.192304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.309826 (E_RNA)
where:
Base-Base interactions energy: -149.918
where: short stacking energy: -62.677
Base-Backbone interact. energy: -0.112
local terms energy: -70.280340
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -16.840
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -229.863927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.863927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.898785 (E_RNA)
where:
Base-Base interactions energy: -175.189
where: short stacking energy: -72.232
Base-Backbone interact. energy: -0.051
local terms energy: -54.659701
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -6.639
flat angles C4'-P-C4' energy: -12.485
flat angles P-C4'-P energy: -5.520
tors. eta vs tors. theta energy: -18.512
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: 6
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -225.260375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.260375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.281758 (E_RNA)
where:
Base-Base interactions energy: -165.970
where: short stacking energy: -68.175
Base-Backbone interact. energy: -0.141
local terms energy: -59.170567
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -11.446
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -6.219
tors. eta vs tors. theta energy: -17.221
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: 9
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -210.802547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.802547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.820785 (E_RNA)
where:
Base-Base interactions energy: -147.571
where: short stacking energy: -57.997
Base-Backbone interact. energy: -0.022
local terms energy: -63.228201
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -7.903
tors. eta vs tors. theta energy: -14.721
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: 334
Temperature: 1.100000
Total energy: -209.551676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.551676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.639197 (E_RNA)
where:
Base-Base interactions energy: -146.343
where: short stacking energy: -54.551
Base-Backbone interact. energy: 0.979
local terms energy: -64.274928
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -11.449
flat angles C4'-P-C4' energy: -12.648
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -17.274
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -208.874431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.874431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.906162 (E_RNA)
where:
Base-Base interactions energy: -148.244
where: short stacking energy: -58.871
Base-Backbone interact. energy: -0.064
local terms energy: -60.597721
where:
bonds (distance) C4'-P energy: -11.018
bonds (distance) P-C4' energy: -12.995
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -15.549
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: 334
Temperature: 1.200000
Total energy: -202.995274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.995274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.012115 (E_RNA)
where:
Base-Base interactions energy: -144.428
where: short stacking energy: -56.066
Base-Backbone interact. energy: -0.052
local terms energy: -58.531883
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -11.673
flat angles P-C4'-P energy: -5.191
tors. eta vs tors. theta energy: -14.977
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -194.316659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.316659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.343571 (E_RNA)
where:
Base-Base interactions energy: -137.668
where: short stacking energy: -55.905
Base-Backbone interact. energy: -0.144
local terms energy: -56.531438
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -5.356
tors. eta vs tors. theta energy: -12.213
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: 334
Temperature: 1.300000
Total energy: -183.196811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.196811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.436527 (E_RNA)
where:
Base-Base interactions energy: -131.326
where: short stacking energy: -55.499
Base-Backbone interact. energy: -0.556
local terms energy: -59.555016
where:
bonds (distance) C4'-P energy: -9.685
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -14.941
Dist. restrs. and SS energy: 8.240 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -189.587925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.587925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.779858 (E_RNA)
where:
Base-Base interactions energy: -132.571
where: short stacking energy: -49.702
Base-Backbone interact. energy: -0.315
local terms energy: -56.893909
where:
bonds (distance) C4'-P energy: -11.216
bonds (distance) P-C4' energy: -10.149
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: -16.038
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: 1, replica: 1
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -229.247384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.247384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.344358 (E_RNA)
where:
Base-Base interactions energy: -167.615
where: short stacking energy: -68.567
Base-Backbone interact. energy: -0.001
local terms energy: -61.728154
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -4.413
tors. eta vs tors. theta energy: -14.079
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -233.496612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.496612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.496612 (E_RNA)
where:
Base-Base interactions energy: -174.667
where: short stacking energy: -72.327
Base-Backbone interact. energy: -0.588
local terms energy: -58.241916
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -8.236
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -6.296
tors. eta vs tors. theta energy: -16.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -217.811502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.811502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.816096 (E_RNA)
where:
Base-Base interactions energy: -164.159
where: short stacking energy: -67.737
Base-Backbone interact. energy: -0.056
local terms energy: -53.600623
where:
bonds (distance) C4'-P energy: -9.057
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -8.518
flat angles P-C4'-P energy: -3.331
tors. eta vs tors. theta energy: -19.668
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -210.621127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.621127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.658926 (E_RNA)
where:
Base-Base interactions energy: -144.073
where: short stacking energy: -61.003
Base-Backbone interact. energy: -0.003
local terms energy: -66.583761
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -19.548
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: 7
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -207.325701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.325701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.466624 (E_RNA)
where:
Base-Base interactions energy: -148.284
where: short stacking energy: -65.639
Base-Backbone interact. energy: -0.368
local terms energy: -58.815450
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -10.293
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -8.314
tors. eta vs tors. theta energy: -16.969
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: 10
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -205.577752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.577752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.754384 (E_RNA)
where:
Base-Base interactions energy: -140.726
where: short stacking energy: -58.789
Base-Backbone interact. energy: -0.134
local terms energy: -64.894422
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -6.724
tors. eta vs tors. theta energy: -17.462
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -208.582969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.582969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.689228 (E_RNA)
where:
Base-Base interactions energy: -145.605
where: short stacking energy: -58.740
Base-Backbone interact. energy: -0.004
local terms energy: -63.080058
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -4.518
tors. eta vs tors. theta energy: -18.434
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: 5
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -191.660169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.660169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.770228 (E_RNA)
where:
Base-Base interactions energy: -138.037
where: short stacking energy: -58.716
Base-Backbone interact. energy: -0.974
local terms energy: -60.759020
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -15.783
Dist. restrs. and SS energy: 8.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -207.286664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.286664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.333573 (E_RNA)
where:
Base-Base interactions energy: -151.194
where: short stacking energy: -64.826
Base-Backbone interact. energy: -0.420
local terms energy: -55.719750
where:
bonds (distance) C4'-P energy: -8.472
bonds (distance) P-C4' energy: -11.800
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -14.939
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: 3
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -187.017397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.017397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.055674 (E_RNA)
where:
Base-Base interactions energy: -136.520
where: short stacking energy: -50.593
Base-Backbone interact. energy: -0.060
local terms energy: -50.475955
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -11.038
flat angles C4'-P-C4' energy: -7.873
flat angles P-C4'-P energy: -6.766
tors. eta vs tors. theta energy: -11.895
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: 6
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -230.709341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.709341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.756104 (E_RNA)
where:
Base-Base interactions energy: -167.456
where: short stacking energy: -63.033
Base-Backbone interact. energy: -0.006
local terms energy: -63.293689
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -10.216
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: -15.400
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: 1
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -228.219135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.219135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.219135 (E_RNA)
where:
Base-Base interactions energy: -169.851
where: short stacking energy: -69.670
Base-Backbone interact. energy: -0.914
local terms energy: -57.453741
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -2.580
tors. eta vs tors. theta energy: -16.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -214.572726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.572726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.572726 (E_RNA)
where:
Base-Base interactions energy: -151.623
where: short stacking energy: -60.470
Base-Backbone interact. energy: -0.053
local terms energy: -62.897148
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -10.201
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -16.558
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -213.066130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.066130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.171927 (E_RNA)
where:
Base-Base interactions energy: -149.875
where: short stacking energy: -63.795
Base-Backbone interact. energy: 0.423
local terms energy: -63.720172
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -16.452
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -215.121030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.121030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.408172 (E_RNA)
where:
Base-Base interactions energy: -156.299
where: short stacking energy: -62.471
Base-Backbone interact. energy: -0.129
local terms energy: -58.979669
where:
bonds (distance) C4'-P energy: -9.333
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -12.922
flat angles P-C4'-P energy: -4.056
tors. eta vs tors. theta energy: -17.414
Dist. restrs. and SS energy: 0.287 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -211.511788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.511788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.668519 (E_RNA)
where:
Base-Base interactions energy: -147.557
where: short stacking energy: -64.680
Base-Backbone interact. energy: -0.809
local terms energy: -63.302287
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -12.115
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -7.530
tors. eta vs tors. theta energy: -16.637
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -199.580726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.580726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.908372 (E_RNA)
where:
Base-Base interactions energy: -149.780
where: short stacking energy: -57.999
Base-Backbone interact. energy: -0.943
local terms energy: -49.185399
where:
bonds (distance) C4'-P energy: -9.781
bonds (distance) P-C4' energy: -7.689
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -2.524
tors. eta vs tors. theta energy: -15.518
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: 8, replica: 5
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -184.851177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.851177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.142993 (E_RNA)
where:
Base-Base interactions energy: -133.601
where: short stacking energy: -53.456
Base-Backbone interact. energy: -0.683
local terms energy: -57.859232
where:
bonds (distance) C4'-P energy: -9.514
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -5.698
tors. eta vs tors. theta energy: -12.552
Dist. restrs. and SS energy: 7.292 (S_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: -195.461311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.461311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.893361 (E_RNA)
where:
Base-Base interactions energy: -140.434
where: short stacking energy: -61.447
Base-Backbone interact. energy: -0.167
local terms energy: -55.293170
where:
bonds (distance) C4'-P energy: -7.723
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -5.450
tors. eta vs tors. theta energy: -13.712
Dist. restrs. and SS energy: 0.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -195.065626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.065626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.067759 (E_RNA)
where:
Base-Base interactions energy: -136.048
where: short stacking energy: -56.138
Base-Backbone interact. energy: -0.354
local terms energy: -58.665228
where:
bonds (distance) C4'-P energy: -10.471
bonds (distance) P-C4' energy: -11.553
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -14.743
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: 6
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -236.371540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.371540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.418719 (E_RNA)
where:
Base-Base interactions energy: -170.729
where: short stacking energy: -69.683
Base-Backbone interact. energy: -0.507
local terms energy: -65.182533
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -6.908
tors. eta vs tors. theta energy: -17.326
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: 337
Temperature: 0.950000
Total energy: -217.493812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.493812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.493812 (E_RNA)
where:
Base-Base interactions energy: -147.505
where: short stacking energy: -62.005
Base-Backbone interact. energy: -0.010
local terms energy: -69.978955
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -19.327
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -231.482789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.482789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.482789 (E_RNA)
where:
Base-Base interactions energy: -172.541
where: short stacking energy: -67.799
Base-Backbone interact. energy: -0.001
local terms energy: -58.940753
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -12.620
flat angles P-C4'-P energy: -2.474
tors. eta vs tors. theta energy: -16.014
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: 4, replica: 10
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -213.190468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.190468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.269915 (E_RNA)
where:
Base-Base interactions energy: -150.295
where: short stacking energy: -62.540
Base-Backbone interact. energy: -0.001
local terms energy: -62.973827
where:
bonds (distance) C4'-P energy: -9.684
bonds (distance) P-C4' energy: -9.195
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -17.638
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -209.971959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.971959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.049015 (E_RNA)
where:
Base-Base interactions energy: -146.387
where: short stacking energy: -63.884
Base-Backbone interact. energy: -0.000
local terms energy: -63.661739
where:
bonds (distance) C4'-P energy: -10.645
bonds (distance) P-C4' energy: -11.798
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -15.259
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -204.751686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.751686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.796271 (E_RNA)
where:
Base-Base interactions energy: -144.043
where: short stacking energy: -57.349
Base-Backbone interact. energy: 0.420
local terms energy: -61.173543
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -9.413
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -14.746
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -208.740969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.740969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.033543 (E_RNA)
where:
Base-Base interactions energy: -146.921
where: short stacking energy: -54.039
Base-Backbone interact. energy: -0.011
local terms energy: -62.101533
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -6.058
tors. eta vs tors. theta energy: -16.020
Dist. restrs. and SS energy: 0.293 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -196.267358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.267358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.349128 (E_RNA)
where:
Base-Base interactions energy: -136.200
where: short stacking energy: -55.136
Base-Backbone interact. energy: -0.001
local terms energy: -60.147211
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -10.967
flat angles C4'-P-C4' energy: -10.883
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -15.812
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: 5
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -182.325907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.325907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.555584 (E_RNA)
where:
Base-Base interactions energy: -133.654
where: short stacking energy: -51.684
Base-Backbone interact. energy: -1.337
local terms energy: -55.564910
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -11.581
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -6.782
tors. eta vs tors. theta energy: -13.147
Dist. restrs. and SS energy: 8.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -190.391160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.391160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.611853 (E_RNA)
where:
Base-Base interactions energy: -135.920
where: short stacking energy: -49.101
Base-Backbone interact. energy: -0.141
local terms energy: -54.551249
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -11.158
flat angles C4'-P-C4' energy: -12.525
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -11.495
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: 6
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -239.936063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.936063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.153681 (E_RNA)
where:
Base-Base interactions energy: -173.758
where: short stacking energy: -73.473
Base-Backbone interact. energy: -0.291
local terms energy: -66.104428
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -4.553
tors. eta vs tors. theta energy: -18.193
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: 9
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -219.415894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.415894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.585681 (E_RNA)
where:
Base-Base interactions energy: -148.163
where: short stacking energy: -64.214
Base-Backbone interact. energy: -0.416
local terms energy: -71.006968
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -13.248
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -17.680
Dist. restrs. and SS energy: 0.170 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -223.801246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.801246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.804511 (E_RNA)
where:
Base-Base interactions energy: -162.169
where: short stacking energy: -63.781
Base-Backbone interact. energy: -0.016
local terms energy: -61.619516
where:
bonds (distance) C4'-P energy: -11.320
bonds (distance) P-C4' energy: -11.279
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: -17.332
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -218.066962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.066962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.109655 (E_RNA)
where:
Base-Base interactions energy: -146.754
where: short stacking energy: -58.106
Base-Backbone interact. energy: -0.007
local terms energy: -71.348854
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: -19.339
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -213.055450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.055450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.147366 (E_RNA)
where:
Base-Base interactions energy: -152.426
where: short stacking energy: -63.934
Base-Backbone interact. energy: -0.001
local terms energy: -60.720696
where:
bonds (distance) C4'-P energy: -8.908
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -15.936
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -209.244311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.244311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.282209 (E_RNA)
where:
Base-Base interactions energy: -155.326
where: short stacking energy: -64.657
Base-Backbone interact. energy: -0.017
local terms energy: -53.938692
where:
bonds (distance) C4'-P energy: -10.231
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -9.971
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -13.968
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -195.650655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.650655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.776825 (E_RNA)
where:
Base-Base interactions energy: -135.192
where: short stacking energy: -50.762
Base-Backbone interact. energy: -0.021
local terms energy: -60.564450
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -11.998
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -12.732
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: 338
Temperature: 1.250000
Total energy: -198.035465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.035465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.091168 (E_RNA)
where:
Base-Base interactions energy: -140.682
where: short stacking energy: -61.219
Base-Backbone interact. energy: -0.294
local terms energy: -57.115129
where:
bonds (distance) C4'-P energy: -11.953
bonds (distance) P-C4' energy: -12.215
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -11.945
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -193.759991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.759991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.773696 (E_RNA)
where:
Base-Base interactions energy: -138.146
where: short stacking energy: -56.012
Base-Backbone interact. energy: -0.078
local terms energy: -55.549032
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -11.733
flat angles P-C4'-P energy: -5.890
tors. eta vs tors. theta energy: -12.356
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: 338
Temperature: 1.350000
Total energy: -182.069491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.069491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.215450 (E_RNA)
where:
Base-Base interactions energy: -138.712
where: short stacking energy: -63.128
Base-Backbone interact. energy: -0.728
local terms energy: -49.775395
where:
bonds (distance) C4'-P energy: -7.800
bonds (distance) P-C4' energy: -6.935
flat angles C4'-P-C4' energy: -10.204
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -15.959
Dist. restrs. and SS energy: 7.146 (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: 6
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -239.970380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.970380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.028139 (E_RNA)
where:
Base-Base interactions energy: -175.135
where: short stacking energy: -71.271
Base-Backbone interact. energy: -0.007
local terms energy: -64.885965
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -4.007
tors. eta vs tors. theta energy: -17.025
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -214.968306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.968306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.983806 (E_RNA)
where:
Base-Base interactions energy: -147.702
where: short stacking energy: -63.235
Base-Backbone interact. energy: -0.072
local terms energy: -67.209731
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -15.895
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: 10
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -215.531798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.531798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.543058 (E_RNA)
where:
Base-Base interactions energy: -148.486
where: short stacking energy: -58.189
Base-Backbone interact. energy: -0.445
local terms energy: -66.611815
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -14.840
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: 2
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -212.075190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.075190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.260042 (E_RNA)
where:
Base-Base interactions energy: -147.651
where: short stacking energy: -63.489
Base-Backbone interact. energy: -0.014
local terms energy: -64.594606
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -13.251
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: 5, replica: 1
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -209.444867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.444867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.464463 (E_RNA)
where:
Base-Base interactions energy: -143.843
where: short stacking energy: -63.225
Base-Backbone interact. energy: -0.289
local terms energy: -65.332906
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -18.153
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: 7
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -208.820847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.820847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.900227 (E_RNA)
where:
Base-Base interactions energy: -143.672
where: short stacking energy: -60.463
Base-Backbone interact. energy: -0.000
local terms energy: -65.228343
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -18.497
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -202.079105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.079105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.125374 (E_RNA)
where:
Base-Base interactions energy: -149.418
where: short stacking energy: -54.204
Base-Backbone interact. energy: -0.241
local terms energy: -52.466052
where:
bonds (distance) C4'-P energy: -10.041
bonds (distance) P-C4' energy: -11.431
flat angles C4'-P-C4' energy: -9.328
flat angles P-C4'-P energy: -6.881
tors. eta vs tors. theta energy: -14.786
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: 339
Temperature: 1.250000
Total energy: -196.697709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.697709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.885399 (E_RNA)
where:
Base-Base interactions energy: -134.446
where: short stacking energy: -50.922
Base-Backbone interact. energy: -0.233
local terms energy: -62.206923
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -9.989
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -17.123
Dist. restrs. and SS energy: 0.188 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -201.394881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.394881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.543677 (E_RNA)
where:
Base-Base interactions energy: -145.026
where: short stacking energy: -60.489
Base-Backbone interact. energy: 0.565
local terms energy: -57.082706
where:
bonds (distance) C4'-P energy: -9.594
bonds (distance) P-C4' energy: -13.100
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -14.265
Dist. restrs. and SS energy: 0.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -186.896418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.896418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.101323 (E_RNA)
where:
Base-Base interactions energy: -136.171
where: short stacking energy: -55.272
Base-Backbone interact. energy: -0.007
local terms energy: -57.923244
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -13.906
flat angles C4'-P-C4' energy: -11.235
flat angles P-C4'-P energy: -4.636
tors. eta vs tors. theta energy: -15.196
Dist. restrs. and SS energy: 7.205 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -236.249853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.249853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.309083 (E_RNA)
where:
Base-Base interactions energy: -173.481
where: short stacking energy: -70.586
Base-Backbone interact. energy: -0.315
local terms energy: -62.513109
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -14.146
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -3.666
tors. eta vs tors. theta energy: -18.681
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -212.491555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.491555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.535072 (E_RNA)
where:
Base-Base interactions energy: -147.168
where: short stacking energy: -58.300
Base-Backbone interact. energy: 0.778
local terms energy: -66.145309
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -13.727
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -219.982027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.982027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.001843 (E_RNA)
where:
Base-Base interactions energy: -155.886
where: short stacking energy: -63.699
Base-Backbone interact. energy: -0.033
local terms energy: -64.082341
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -12.934
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -206.008488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.008488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.072788 (E_RNA)
where:
Base-Base interactions energy: -143.082
where: short stacking energy: -59.451
Base-Backbone interact. energy: -0.005
local terms energy: -62.986418
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -14.322
Dist. restrs. and SS energy: 0.064 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -213.576027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.576027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.598980 (E_RNA)
where:
Base-Base interactions energy: -150.727
where: short stacking energy: -61.029
Base-Backbone interact. energy: -0.041
local terms energy: -62.830302
where:
bonds (distance) C4'-P energy: -7.977
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -16.334
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -203.459190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.459190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.729994 (E_RNA)
where:
Base-Base interactions energy: -137.040
where: short stacking energy: -55.934
Base-Backbone interact. energy: -0.711
local terms energy: -65.979245
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -11.188
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -16.273
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: 4
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -200.453008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.453008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.520023 (E_RNA)
where:
Base-Base interactions energy: -141.624
where: short stacking energy: -57.992
Base-Backbone interact. energy: -0.001
local terms energy: -58.895303
where:
bonds (distance) C4'-P energy: -11.940
bonds (distance) P-C4' energy: -9.280
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -16.701
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -194.783985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.783985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.888343 (E_RNA)
where:
Base-Base interactions energy: -131.503
where: short stacking energy: -45.035
Base-Backbone interact. energy: -0.046
local terms energy: -63.339309
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -12.733
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -15.602
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -183.993570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.993570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.512739 (E_RNA)
where:
Base-Base interactions energy: -134.202
where: short stacking energy: -53.362
Base-Backbone interact. energy: -0.386
local terms energy: -56.924960
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -10.454
flat angles C4'-P-C4' energy: -10.277
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -13.716
Dist. restrs. and SS energy: 7.519 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -195.777938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.777938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.779313 (E_RNA)
where:
Base-Base interactions energy: -142.858
where: short stacking energy: -53.018
Base-Backbone interact. energy: -0.153
local terms energy: -52.768331
where:
bonds (distance) C4'-P energy: -9.556
bonds (distance) P-C4' energy: -10.914
flat angles C4'-P-C4' energy: -11.082
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -13.306
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -235.116337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.116337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.131951 (E_RNA)
where:
Base-Base interactions energy: -169.290
where: short stacking energy: -67.849
Base-Backbone interact. energy: -0.077
local terms energy: -65.765024
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -15.559
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -226.167419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.167419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.167419 (E_RNA)
where:
Base-Base interactions energy: -160.591
where: short stacking energy: -62.132
Base-Backbone interact. energy: -0.178
local terms energy: -65.399122
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -14.416
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: -17.868
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -226.121665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.121665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.306206 (E_RNA)
where:
Base-Base interactions energy: -166.033
where: short stacking energy: -66.825
Base-Backbone interact. energy: -0.005
local terms energy: -60.268292
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -4.411
tors. eta vs tors. theta energy: -15.590
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: 7
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -223.578049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.578049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.719330 (E_RNA)
where:
Base-Base interactions energy: -168.773
where: short stacking energy: -69.264
Base-Backbone interact. energy: -0.002
local terms energy: -54.944853
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -9.623
flat angles C4'-P-C4' energy: -10.338
flat angles P-C4'-P energy: -5.171
tors. eta vs tors. theta energy: -17.619
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: 10
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -208.111343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.111343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.173389 (E_RNA)
where:
Base-Base interactions energy: -149.592
where: short stacking energy: -61.833
Base-Backbone interact. energy: -0.125
local terms energy: -58.455801
where:
bonds (distance) C4'-P energy: -7.226
bonds (distance) P-C4' energy: -12.475
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -17.372
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: 4
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -209.852646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.852646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.852646 (E_RNA)
where:
Base-Base interactions energy: -141.517
where: short stacking energy: -58.032
Base-Backbone interact. energy: -0.073
local terms energy: -68.263305
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -14.532
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -202.875616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.875616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.010783 (E_RNA)
where:
Base-Base interactions energy: -140.514
where: short stacking energy: -63.330
Base-Backbone interact. energy: -0.000
local terms energy: -62.496327
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -9.481
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: -17.186
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -200.879658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.879658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.901776 (E_RNA)
where:
Base-Base interactions energy: -144.779
where: short stacking energy: -55.464
Base-Backbone interact. energy: -0.064
local terms energy: -56.058973
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -9.151
flat angles C4'-P-C4' energy: -10.284
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -17.083
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -182.368155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.368155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.443893 (E_RNA)
where:
Base-Base interactions energy: -130.436
where: short stacking energy: -56.343
Base-Backbone interact. energy: -0.010
local terms energy: -59.998432
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -9.655
flat angles C4'-P-C4' energy: -11.393
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -12.691
Dist. restrs. and SS energy: 8.076 (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: 3
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -191.951049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.951049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.986831 (E_RNA)
where:
Base-Base interactions energy: -126.603
where: short stacking energy: -46.463
Base-Backbone interact. energy: -0.361
local terms energy: -65.023523
where:
bonds (distance) C4'-P energy: -10.889
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -14.897
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -12.881
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -231.784015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.784015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.804533 (E_RNA)
where:
Base-Base interactions energy: -167.791
where: short stacking energy: -67.816
Base-Backbone interact. energy: -0.001
local terms energy: -64.012422
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: -16.771
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: 2
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -225.846549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.846549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.846549 (E_RNA)
where:
Base-Base interactions energy: -168.995
where: short stacking energy: -69.303
Base-Backbone interact. energy: -0.000
local terms energy: -56.851742
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -10.333
flat angles P-C4'-P energy: -6.321
tors. eta vs tors. theta energy: -14.053
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -228.316783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.316783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.345842 (E_RNA)
where:
Base-Base interactions energy: -169.828
where: short stacking energy: -70.620
Base-Backbone interact. energy: -0.037
local terms energy: -58.481069
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -10.580
flat angles P-C4'-P energy: -5.613
tors. eta vs tors. theta energy: -18.869
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -225.507305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.507305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.543588 (E_RNA)
where:
Base-Base interactions energy: -165.127
where: short stacking energy: -64.131
Base-Backbone interact. energy: -0.006
local terms energy: -60.410315
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -12.259
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -6.100
tors. eta vs tors. theta energy: -16.503
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -210.165255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.165255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.227570 (E_RNA)
where:
Base-Base interactions energy: -150.031
where: short stacking energy: -58.121
Base-Backbone interact. energy: -0.082
local terms energy: -60.114275
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -14.196
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -3.336
tors. eta vs tors. theta energy: -15.547
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: 4
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -209.358575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.358575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.406064 (E_RNA)
where:
Base-Base interactions energy: -156.741
where: short stacking energy: -60.656
Base-Backbone interact. energy: -0.239
local terms energy: -52.425256
where:
bonds (distance) C4'-P energy: -7.024
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -1.631
tors. eta vs tors. theta energy: -18.208
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: 342
Temperature: 1.200000
Total energy: -195.094560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.094560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.276714 (E_RNA)
where:
Base-Base interactions energy: -151.766
where: short stacking energy: -57.775
Base-Backbone interact. energy: -0.259
local terms energy: -43.252481
where:
bonds (distance) C4'-P energy: -6.784
bonds (distance) P-C4' energy: -7.896
flat angles C4'-P-C4' energy: -11.221
flat angles P-C4'-P energy: -3.626
tors. eta vs tors. theta energy: -13.726
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -198.326092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.326092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.364441 (E_RNA)
where:
Base-Base interactions energy: -135.399
where: short stacking energy: -53.504
Base-Backbone interact. energy: -0.467
local terms energy: -62.497922
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -10.178
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -15.240
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -177.832501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.832501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.592320 (E_RNA)
where:
Base-Base interactions energy: -131.115
where: short stacking energy: -61.552
Base-Backbone interact. energy: -0.614
local terms energy: -53.863472
where:
bonds (distance) C4'-P energy: -9.412
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -12.343
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -9.152
Dist. restrs. and SS energy: 7.760 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -188.159658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.159658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.537364 (E_RNA)
where:
Base-Base interactions energy: -126.450
where: short stacking energy: -48.423
Base-Backbone interact. energy: -0.012
local terms energy: -62.075288
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -12.476
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: 1, replica: 6
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -227.998163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.998163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.045771 (E_RNA)
where:
Base-Base interactions energy: -164.259
where: short stacking energy: -62.741
Base-Backbone interact. energy: -0.026
local terms energy: -63.760790
where:
bonds (distance) C4'-P energy: -11.568
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -12.769
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -15.555
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: 7
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -235.174056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.174056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.211190 (E_RNA)
where:
Base-Base interactions energy: -167.326
where: short stacking energy: -66.098
Base-Backbone interact. energy: -0.216
local terms energy: -67.669230
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -2.332
tors. eta vs tors. theta energy: -19.721
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: 2
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -214.927035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.927035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.121363 (E_RNA)
where:
Base-Base interactions energy: -147.509
where: short stacking energy: -61.844
Base-Backbone interact. energy: -0.279
local terms energy: -67.332938
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -16.083
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: 4, replica: 9
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -228.866749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.866749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.872329 (E_RNA)
where:
Base-Base interactions energy: -170.875
where: short stacking energy: -71.584
Base-Backbone interact. energy: -0.001
local terms energy: -57.996531
where:
bonds (distance) C4'-P energy: -7.629
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -5.798
tors. eta vs tors. theta energy: -15.990
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: 343
Temperature: 1.100000
Total energy: -209.674155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.674155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.777803 (E_RNA)
where:
Base-Base interactions energy: -141.883
where: short stacking energy: -59.673
Base-Backbone interact. energy: -0.000
local terms energy: -67.894284
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -17.754
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -203.723531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.723531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.750414 (E_RNA)
where:
Base-Base interactions energy: -152.194
where: short stacking energy: -60.680
Base-Backbone interact. energy: 0.321
local terms energy: -51.876669
where:
bonds (distance) C4'-P energy: -10.077
bonds (distance) P-C4' energy: -9.572
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -4.257
tors. eta vs tors. theta energy: -14.946
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -210.585070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.585070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.734228 (E_RNA)
where:
Base-Base interactions energy: -149.402
where: short stacking energy: -59.560
Base-Backbone interact. energy: -0.031
local terms energy: -61.300574
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -12.979
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -13.206
Dist. restrs. and SS energy: 0.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -188.016450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.016450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.072014 (E_RNA)
where:
Base-Base interactions energy: -143.967
where: short stacking energy: -63.003
Base-Backbone interact. energy: -0.006
local terms energy: -52.098417
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -8.103
flat angles C4'-P-C4' energy: -9.298
flat angles P-C4'-P energy: -6.237
tors. eta vs tors. theta energy: -15.919
Dist. restrs. and SS energy: 8.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -195.283831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.283831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.294419 (E_RNA)
where:
Base-Base interactions energy: -146.696
where: short stacking energy: -58.003
Base-Backbone interact. energy: -0.096
local terms energy: -48.501601
where:
bonds (distance) C4'-P energy: -10.369
bonds (distance) P-C4' energy: -9.228
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -1.257
tors. eta vs tors. theta energy: -13.142
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -195.064172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.064172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.186613 (E_RNA)
where:
Base-Base interactions energy: -136.233
where: short stacking energy: -54.929
Base-Backbone interact. energy: -0.001
local terms energy: -58.953143
where:
bonds (distance) C4'-P energy: -12.132
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -5.393
tors. eta vs tors. theta energy: -13.132
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -233.916244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.916244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.923846 (E_RNA)
where:
Base-Base interactions energy: -173.614
where: short stacking energy: -67.507
Base-Backbone interact. energy: 0.256
local terms energy: -60.566001
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -3.309
tors. eta vs tors. theta energy: -16.249
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: 344
Temperature: 0.950000
Total energy: -232.663017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.663017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.682675 (E_RNA)
where:
Base-Base interactions energy: -169.040
where: short stacking energy: -63.950
Base-Backbone interact. energy: -0.045
local terms energy: -63.597113
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -3.334
tors. eta vs tors. theta energy: -18.030
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: 344
Temperature: 1.000000
Total energy: -213.732794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.732794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.982582 (E_RNA)
where:
Base-Base interactions energy: -152.837
where: short stacking energy: -62.051
Base-Backbone interact. energy: -0.099
local terms energy: -61.046587
where:
bonds (distance) C4'-P energy: -7.934
bonds (distance) P-C4' energy: -14.527
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -16.020
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: 4, replica: 2
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -206.912120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.912120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.107907 (E_RNA)
where:
Base-Base interactions energy: -144.731
where: short stacking energy: -56.575
Base-Backbone interact. energy: -0.197
local terms energy: -62.179114
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: -13.427
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -199.323477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.323477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.420458 (E_RNA)
where:
Base-Base interactions energy: -139.578
where: short stacking energy: -59.351
Base-Backbone interact. energy: -0.121
local terms energy: -59.720989
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -11.168
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -13.159
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: 10
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -204.025857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.025857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.048668 (E_RNA)
where:
Base-Base interactions energy: -144.238
where: short stacking energy: -54.470
Base-Backbone interact. energy: -0.036
local terms energy: -59.774926
where:
bonds (distance) C4'-P energy: -9.627
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -10.989
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -17.392
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -202.588247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.588247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.645136 (E_RNA)
where:
Base-Base interactions energy: -146.593
where: short stacking energy: -63.876
Base-Backbone interact. energy: 1.138
local terms energy: -57.189633
where:
bonds (distance) C4'-P energy: -7.967
bonds (distance) P-C4' energy: -11.079
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -11.772
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -183.112889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.112889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.610024 (E_RNA)
where:
Base-Base interactions energy: -140.362
where: short stacking energy: -60.396
Base-Backbone interact. energy: -0.001
local terms energy: -50.246825
where:
bonds (distance) C4'-P energy: -8.227
bonds (distance) P-C4' energy: -9.230
flat angles C4'-P-C4' energy: -10.385
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -12.640
Dist. restrs. and SS energy: 7.497 (S_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: 344
Temperature: 1.300000
Total energy: -187.633092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.633092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.633092 (E_RNA)
where:
Base-Base interactions energy: -130.366
where: short stacking energy: -51.940
Base-Backbone interact. energy: -0.046
local terms energy: -57.221083
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -10.067
flat angles C4'-P-C4' energy: -10.674
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -12.448
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -195.612684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.612684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.642335 (E_RNA)
where:
Base-Base interactions energy: -136.205
where: short stacking energy: -57.712
Base-Backbone interact. energy: -0.013
local terms energy: -59.424218
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -3.813
tors. eta vs tors. theta energy: -16.647
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: 345
Temperature: 0.900000
Total energy: -219.910596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.910596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.008250 (E_RNA)
where:
Base-Base interactions energy: -151.579
where: short stacking energy: -62.170
Base-Backbone interact. energy: -0.096
local terms energy: -68.333457
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -16.150
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: 6
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -232.805319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.805319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.883101 (E_RNA)
where:
Base-Base interactions energy: -168.071
where: short stacking energy: -67.578
Base-Backbone interact. energy: -0.481
local terms energy: -64.331206
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -3.849
tors. eta vs tors. theta energy: -17.448
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -207.827748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.827748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.853472 (E_RNA)
where:
Base-Base interactions energy: -144.795
where: short stacking energy: -57.488
Base-Backbone interact. energy: -0.414
local terms energy: -62.644086
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -8.897
flat angles C4'-P-C4' energy: -11.991
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -17.608
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: 2
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -205.754277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.754277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.768720 (E_RNA)
where:
Base-Base interactions energy: -144.323
where: short stacking energy: -58.514
Base-Backbone interact. energy: -0.009
local terms energy: -61.436643
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -13.875
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -15.151
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: 345
Temperature: 1.100000
Total energy: -201.761900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.761900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.792081 (E_RNA)
where:
Base-Base interactions energy: -146.871
where: short stacking energy: -62.043
Base-Backbone interact. energy: -0.000
local terms energy: -54.920693
where:
bonds (distance) C4'-P energy: -10.620
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -8.684
flat angles P-C4'-P energy: -6.494
tors. eta vs tors. theta energy: -15.576
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: 4
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -202.830985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.830985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.933388 (E_RNA)
where:
Base-Base interactions energy: -142.179
where: short stacking energy: -64.096
Base-Backbone interact. energy: -0.000
local terms energy: -60.753892
where:
bonds (distance) C4'-P energy: -6.575
bonds (distance) P-C4' energy: -13.538
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -15.384
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: 345
Temperature: 1.200000
Total energy: -201.337777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.337777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.388528 (E_RNA)
where:
Base-Base interactions energy: -143.736
where: short stacking energy: -52.275
Base-Backbone interact. energy: -0.138
local terms energy: -57.514511
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -10.979
flat angles C4'-P-C4' energy: -10.682
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -15.107
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: 8, replica: 5
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -195.592632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.592632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.092290 (E_RNA)
where:
Base-Base interactions energy: -140.749
where: short stacking energy: -60.786
Base-Backbone interact. energy: -0.501
local terms energy: -62.842637
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -17.187
Dist. restrs. and SS energy: 8.500 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -200.643841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.643841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.974852 (E_RNA)
where:
Base-Base interactions energy: -143.882
where: short stacking energy: -52.355
Base-Backbone interact. energy: -0.124
local terms energy: -56.969180
where:
bonds (distance) C4'-P energy: -10.753
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -6.131
tors. eta vs tors. theta energy: -14.174
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: 10, replica: 1
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -191.896224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.896224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.981401 (E_RNA)
where:
Base-Base interactions energy: -135.746
where: short stacking energy: -48.282
Base-Backbone interact. energy: -0.120
local terms energy: -56.114967
where:
bonds (distance) C4'-P energy: -10.149
bonds (distance) P-C4' energy: -9.301
flat angles C4'-P-C4' energy: -11.185
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -15.817
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: 1, replica: 6
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -236.113641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.113641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.113913 (E_RNA)
where:
Base-Base interactions energy: -172.559
where: short stacking energy: -68.314
Base-Backbone interact. energy: -0.018
local terms energy: -63.536634
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -5.764
tors. eta vs tors. theta energy: -17.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -220.026430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.026430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.033695 (E_RNA)
where:
Base-Base interactions energy: -157.022
where: short stacking energy: -61.654
Base-Backbone interact. energy: -0.156
local terms energy: -62.855513
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -5.617
tors. eta vs tors. theta energy: -16.036
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -204.700661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.700661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.729109 (E_RNA)
where:
Base-Base interactions energy: -140.432
where: short stacking energy: -56.809
Base-Backbone interact. energy: -0.100
local terms energy: -64.196663
where:
bonds (distance) C4'-P energy: -11.381
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -16.785
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: 346
Temperature: 1.050000
Total energy: -219.360662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.360662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.380391 (E_RNA)
where:
Base-Base interactions energy: -151.725
where: short stacking energy: -62.924
Base-Backbone interact. energy: -0.004
local terms energy: -67.651820
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -11.708
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -17.567
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -209.519233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.519233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.747357 (E_RNA)
where:
Base-Base interactions energy: -145.637
where: short stacking energy: -55.763
Base-Backbone interact. energy: -0.005
local terms energy: -64.104873
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -17.932
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: 6, replica: 4
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -199.447619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.447619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.719904 (E_RNA)
where:
Base-Base interactions energy: -135.850
where: short stacking energy: -60.311
Base-Backbone interact. energy: -0.240
local terms energy: -63.629425
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -16.941
Dist. restrs. and SS energy: 0.272 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -202.701305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.701305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.704395 (E_RNA)
where:
Base-Base interactions energy: -138.339
where: short stacking energy: -54.418
Base-Backbone interact. energy: -0.084
local terms energy: -64.280914
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -11.911
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -16.007
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -179.770023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.770023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.778938 (E_RNA)
where:
Base-Base interactions energy: -127.054
where: short stacking energy: -53.798
Base-Backbone interact. energy: -0.434
local terms energy: -61.290979
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -9.869
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -15.269
Dist. restrs. and SS energy: 9.009 (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: 1
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -190.565360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.565360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.029181 (E_RNA)
where:
Base-Base interactions energy: -126.138
where: short stacking energy: -44.319
Base-Backbone interact. energy: -0.001
local terms energy: -64.890373
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -5.496
tors. eta vs tors. theta energy: -18.295
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: 346
Temperature: 1.350000
Total energy: -193.966348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.966348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.998667 (E_RNA)
where:
Base-Base interactions energy: -141.001
where: short stacking energy: -57.013
Base-Backbone interact. energy: -0.357
local terms energy: -52.640703
where:
bonds (distance) C4'-P energy: -10.497
bonds (distance) P-C4' energy: -9.545
flat angles C4'-P-C4' energy: -9.488
flat angles P-C4'-P energy: -6.599
tors. eta vs tors. theta energy: -16.511
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: 6
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -236.929035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.929035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.013143 (E_RNA)
where:
Base-Base interactions energy: -174.175
where: short stacking energy: -72.521
Base-Backbone interact. energy: -0.004
local terms energy: -62.833596
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -2.421
tors. eta vs tors. theta energy: -17.242
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: 347
Temperature: 0.950000
Total energy: -220.090056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.090056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.105428 (E_RNA)
where:
Base-Base interactions energy: -151.042
where: short stacking energy: -64.043
Base-Backbone interact. energy: -0.012
local terms energy: -69.051227
where:
bonds (distance) C4'-P energy: -13.274
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -18.357
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: 7
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -211.456891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.456891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.607142 (E_RNA)
where:
Base-Base interactions energy: -149.287
where: short stacking energy: -61.849
Base-Backbone interact. energy: -0.132
local terms energy: -62.187302
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -10.879
flat angles P-C4'-P energy: -5.586
tors. eta vs tors. theta energy: -17.262
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: 9
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -209.690244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.690244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.703755 (E_RNA)
where:
Base-Base interactions energy: -149.623
where: short stacking energy: -64.893
Base-Backbone interact. energy: -0.156
local terms energy: -59.924144
where:
bonds (distance) C4'-P energy: -8.615
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -16.863
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: 347
Temperature: 1.100000
Total energy: -206.826343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.826343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.971117 (E_RNA)
where:
Base-Base interactions energy: -138.408
where: short stacking energy: -56.652
Base-Backbone interact. energy: 0.213
local terms energy: -68.776548
where:
bonds (distance) C4'-P energy: -11.941
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -16.036
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -15.858
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: 10
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -212.970385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.970385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.993235 (E_RNA)
where:
Base-Base interactions energy: -155.782
where: short stacking energy: -64.827
Base-Backbone interact. energy: -0.125
local terms energy: -57.086644
where:
bonds (distance) C4'-P energy: -4.232
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -13.497
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -199.138695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.138695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.216148 (E_RNA)
where:
Base-Base interactions energy: -135.742
where: short stacking energy: -55.865
Base-Backbone interact. energy: -1.054
local terms energy: -62.420056
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -11.200
flat angles C4'-P-C4' energy: -10.411
flat angles P-C4'-P energy: -13.151
tors. eta vs tors. theta energy: -13.755
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: 1
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -207.110738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.110738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.287561 (E_RNA)
where:
Base-Base interactions energy: -145.367
where: short stacking energy: -56.939
Base-Backbone interact. energy: -0.103
local terms energy: -61.817822
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -11.728
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -15.062
Dist. restrs. and SS energy: 0.177 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -183.649508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.649508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.028352 (E_RNA)
where:
Base-Base interactions energy: -132.359
where: short stacking energy: -56.754
Base-Backbone interact. energy: -0.015
local terms energy: -58.654660
where:
bonds (distance) C4'-P energy: -8.560
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -14.726
flat angles P-C4'-P energy: -6.884
tors. eta vs tors. theta energy: -14.075
Dist. restrs. and SS energy: 7.379 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -189.882588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.882588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.953927 (E_RNA)
where:
Base-Base interactions energy: -130.487
where: short stacking energy: -52.052
Base-Backbone interact. energy: -0.002
local terms energy: -59.464913
where:
bonds (distance) C4'-P energy: -10.597
bonds (distance) P-C4' energy: -10.087
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -14.911
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: 6
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -234.873376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.873376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.875041 (E_RNA)
where:
Base-Base interactions energy: -170.999
where: short stacking energy: -67.878
Base-Backbone interact. energy: -0.253
local terms energy: -63.622915
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -17.004
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -223.365113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.365113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.393248 (E_RNA)
where:
Base-Base interactions energy: -157.448
where: short stacking energy: -68.330
Base-Backbone interact. energy: -0.000
local terms energy: -65.944772
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -11.372
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -17.317
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -218.342230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.342230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.354084 (E_RNA)
where:
Base-Base interactions energy: -148.138
where: short stacking energy: -62.335
Base-Backbone interact. energy: -0.038
local terms energy: -70.178562
where:
bonds (distance) C4'-P energy: -13.725
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -12.265
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -18.092
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: 348
Temperature: 1.050000
Total energy: -216.277745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.277745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.308065 (E_RNA)
where:
Base-Base interactions energy: -160.209
where: short stacking energy: -61.834
Base-Backbone interact. energy: -0.047
local terms energy: -56.052398
where:
bonds (distance) C4'-P energy: -9.093
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -9.620
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -13.993
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: 348
Temperature: 1.100000
Total energy: -210.560847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.560847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.611057 (E_RNA)
where:
Base-Base interactions energy: -158.608
where: short stacking energy: -60.863
Base-Backbone interact. energy: -0.009
local terms energy: -51.994821
where:
bonds (distance) C4'-P energy: -7.748
bonds (distance) P-C4' energy: -8.282
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -5.131
tors. eta vs tors. theta energy: -16.671
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: 8
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -199.802088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.802088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.847545 (E_RNA)
where:
Base-Base interactions energy: -143.800
where: short stacking energy: -55.478
Base-Backbone interact. energy: -0.570
local terms energy: -55.477144
where:
bonds (distance) C4'-P energy: -10.224
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -11.332
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -13.533
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -204.208613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.208613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.289029 (E_RNA)
where:
Base-Base interactions energy: -140.110
where: short stacking energy: -55.085
Base-Backbone interact. energy: -0.260
local terms energy: -63.918250
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -12.499
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -15.010
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -189.297432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.297432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.354892 (E_RNA)
where:
Base-Base interactions energy: -132.438
where: short stacking energy: -49.365
Base-Backbone interact. energy: -0.057
local terms energy: -56.859990
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -10.210
flat angles C4'-P-C4' energy: -9.039
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -14.457
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: 3
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -194.634796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.634796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.734080 (E_RNA)
where:
Base-Base interactions energy: -145.574
where: short stacking energy: -59.875
Base-Backbone interact. energy: -0.149
local terms energy: -49.010894
where:
bonds (distance) C4'-P energy: -7.275
bonds (distance) P-C4' energy: -10.081
flat angles C4'-P-C4' energy: -9.269
flat angles P-C4'-P energy: -5.653
tors. eta vs tors. theta energy: -16.733
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -172.974597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.974597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.860698 (E_RNA)
where:
Base-Base interactions energy: -126.800
where: short stacking energy: -50.777
Base-Backbone interact. energy: -0.085
local terms energy: -52.976431
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -9.924
flat angles C4'-P-C4' energy: -12.039
flat angles P-C4'-P energy: -9.297
tors. eta vs tors. theta energy: -10.470
Dist. restrs. and SS energy: 6.886 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -238.650643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.650643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.680643 (E_RNA)
where:
Base-Base interactions energy: -171.980
where: short stacking energy: -66.087
Base-Backbone interact. energy: -0.168
local terms energy: -66.532055
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -6.913
tors. eta vs tors. theta energy: -16.919
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -223.416966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.416966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.416966 (E_RNA)
where:
Base-Base interactions energy: -155.804
where: short stacking energy: -62.839
Base-Backbone interact. energy: -0.061
local terms energy: -67.551268
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: -14.086
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -221.144851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.144851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.218137 (E_RNA)
where:
Base-Base interactions energy: -153.845
where: short stacking energy: -69.919
Base-Backbone interact. energy: -0.010
local terms energy: -67.363219
where:
bonds (distance) C4'-P energy: -12.686
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -11.561
tors. eta vs tors. theta energy: -16.505
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -220.995697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.995697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.038148 (E_RNA)
where:
Base-Base interactions energy: -166.578
where: short stacking energy: -68.559
Base-Backbone interact. energy: 0.180
local terms energy: -54.640006
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -9.852
flat angles C4'-P-C4' energy: -10.984
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -15.750
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -205.235790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.235790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.243979 (E_RNA)
where:
Base-Base interactions energy: -134.958
where: short stacking energy: -53.968
Base-Backbone interact. energy: -0.011
local terms energy: -70.274288
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -15.923
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -207.032735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.032735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.130730 (E_RNA)
where:
Base-Base interactions energy: -151.165
where: short stacking energy: -56.821
Base-Backbone interact. energy: -0.152
local terms energy: -55.812955
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -10.810
flat angles C4'-P-C4' energy: -10.525
flat angles P-C4'-P energy: -9.721
tors. eta vs tors. theta energy: -13.081
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: 349
Temperature: 1.200000
Total energy: -203.991909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.991909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.093841 (E_RNA)
where:
Base-Base interactions energy: -146.506
where: short stacking energy: -60.634
Base-Backbone interact. energy: 0.064
local terms energy: -57.651863
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -5.854
flat angles C4'-P-C4' energy: -10.970
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -17.147
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: 349
Temperature: 1.250000
Total energy: -196.191015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.191015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.326620 (E_RNA)
where:
Base-Base interactions energy: -138.219
where: short stacking energy: -58.955
Base-Backbone interact. energy: -0.011
local terms energy: -58.096643
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -8.322
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -15.907
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -203.585893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.585893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.693271 (E_RNA)
where:
Base-Base interactions energy: -144.320
where: short stacking energy: -53.819
Base-Backbone interact. energy: -0.003
local terms energy: -59.369973
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -13.153
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -5.932
tors. eta vs tors. theta energy: -14.567
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: 349
Temperature: 1.350000
Total energy: -177.779460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.779460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.600824 (E_RNA)
where:
Base-Base interactions energy: -122.848
where: short stacking energy: -53.203
Base-Backbone interact. energy: -1.274
local terms energy: -61.479470
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -12.152
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -15.878
Dist. restrs. and SS energy: 7.821 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -232.622254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.622254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.622254 (E_RNA)
where:
Base-Base interactions energy: -164.686
where: short stacking energy: -65.068
Base-Backbone interact. energy: -0.038
local terms energy: -67.898719
where:
bonds (distance) C4'-P energy: -13.650
bonds (distance) P-C4' energy: -16.461
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -16.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -219.810193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.810193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.868185 (E_RNA)
where:
Base-Base interactions energy: -154.291
where: short stacking energy: -64.410
Base-Backbone interact. energy: -0.007
local terms energy: -65.570374
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -14.325
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -218.579911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.579911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.579911 (E_RNA)
where:
Base-Base interactions energy: -149.648
where: short stacking energy: -59.936
Base-Backbone interact. energy: -0.000
local terms energy: -68.931745
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -18.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -212.251640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.251640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.272210 (E_RNA)
where:
Base-Base interactions energy: -150.795
where: short stacking energy: -65.660
Base-Backbone interact. energy: -0.038
local terms energy: -61.439182
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -11.404
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -6.276
tors. eta vs tors. theta energy: -15.749
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -209.178008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.178008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.208033 (E_RNA)
where:
Base-Base interactions energy: -150.651
where: short stacking energy: -56.271
Base-Backbone interact. energy: -0.271
local terms energy: -58.286037
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -14.903
flat angles C4'-P-C4' energy: -9.357
flat angles P-C4'-P energy: -3.700
tors. eta vs tors. theta energy: -15.852
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -201.944020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.944020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.956533 (E_RNA)
where:
Base-Base interactions energy: -138.603
where: short stacking energy: -55.443
Base-Backbone interact. energy: -0.066
local terms energy: -63.288171
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -6.380
tors. eta vs tors. theta energy: -16.280
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: 350
Temperature: 1.200000
Total energy: -201.559501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.559501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.570506 (E_RNA)
where:
Base-Base interactions energy: -140.368
where: short stacking energy: -54.191
Base-Backbone interact. energy: -0.097
local terms energy: -61.106069
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -10.259
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -14.256
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -198.277252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.277252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.310717 (E_RNA)
where:
Base-Base interactions energy: -142.570
where: short stacking energy: -56.656
Base-Backbone interact. energy: -0.024
local terms energy: -55.716371
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -6.782
flat angles C4'-P-C4' energy: -9.501
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -16.006
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -202.097117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.097117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.185263 (E_RNA)
where:
Base-Base interactions energy: -142.052
where: short stacking energy: -60.397
Base-Backbone interact. energy: 0.744
local terms energy: -60.877487
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -12.727
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -13.780
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -190.183399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.183399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.979082 (E_RNA)
where:
Base-Base interactions energy: -140.577
where: short stacking energy: -54.573
Base-Backbone interact. energy: -0.444
local terms energy: -56.957914
where:
bonds (distance) C4'-P energy: -9.967
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -9.965
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: -15.401
Dist. restrs. and SS energy: 7.796 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -236.745110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.745110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.745110 (E_RNA)
where:
Base-Base interactions energy: -173.240
where: short stacking energy: -70.580
Base-Backbone interact. energy: -0.014
local terms energy: -63.491291
where:
bonds (distance) C4'-P energy: -11.118
bonds (distance) P-C4' energy: -13.109
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -8.216
tors. eta vs tors. theta energy: -16.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -223.487715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.487715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.715243 (E_RNA)
where:
Base-Base interactions energy: -159.506
where: short stacking energy: -66.972
Base-Backbone interact. energy: -0.159
local terms energy: -64.049437
where:
bonds (distance) C4'-P energy: -11.842
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -6.059
tors. eta vs tors. theta energy: -18.618
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: 3, replica: 9
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -216.010571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.010571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.056843 (E_RNA)
where:
Base-Base interactions energy: -149.373
where: short stacking energy: -60.772
Base-Backbone interact. energy: -0.241
local terms energy: -66.442447
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -7.398
tors. eta vs tors. theta energy: -16.728
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -216.650347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.650347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.656080 (E_RNA)
where:
Base-Base interactions energy: -153.034
where: short stacking energy: -61.949
Base-Backbone interact. energy: -0.156
local terms energy: -63.465917
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -11.039
flat angles C4'-P-C4' energy: -10.902
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -17.902
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: 351
Temperature: 1.100000
Total energy: -209.266314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.266314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.323744 (E_RNA)
where:
Base-Base interactions energy: -150.262
where: short stacking energy: -62.332
Base-Backbone interact. energy: -0.101
local terms energy: -58.960486
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -6.559
tors. eta vs tors. theta energy: -14.818
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: 3
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -198.086472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.086472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.091902 (E_RNA)
where:
Base-Base interactions energy: -147.319
where: short stacking energy: -54.697
Base-Backbone interact. energy: -0.576
local terms energy: -50.196699
where:
bonds (distance) C4'-P energy: -10.609
bonds (distance) P-C4' energy: -10.459
flat angles C4'-P-C4' energy: -10.708
flat angles P-C4'-P energy: -6.337
tors. eta vs tors. theta energy: -12.084
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -196.207972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.207972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.212854 (E_RNA)
where:
Base-Base interactions energy: -139.189
where: short stacking energy: -57.303
Base-Backbone interact. energy: -0.001
local terms energy: -57.022441
where:
bonds (distance) C4'-P energy: -10.261
bonds (distance) P-C4' energy: -10.252
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -14.010
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -193.022021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.022021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.087628 (E_RNA)
where:
Base-Base interactions energy: -130.421
where: short stacking energy: -51.731
Base-Backbone interact. energy: -0.292
local terms energy: -62.374201
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -10.679
flat angles C4'-P-C4' energy: -13.174
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -15.536
Dist. restrs. and SS energy: 0.066 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -192.677179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.677179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.700814 (E_RNA)
where:
Base-Base interactions energy: -135.856
where: short stacking energy: -51.606
Base-Backbone interact. energy: -0.044
local terms energy: -56.800556
where:
bonds (distance) C4'-P energy: -10.054
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -4.963
tors. eta vs tors. theta energy: -15.744
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -159.740348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.740348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.926126 (E_RNA)
where:
Base-Base interactions energy: -114.913
where: short stacking energy: -43.812
Base-Backbone interact. energy: -0.906
local terms energy: -52.107406
where:
bonds (distance) C4'-P energy: -3.364
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -13.333
Dist. restrs. and SS energy: 8.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -233.322018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.322018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.354363 (E_RNA)
where:
Base-Base interactions energy: -169.700
where: short stacking energy: -70.079
Base-Backbone interact. energy: -0.606
local terms energy: -63.048517
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -12.928
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -5.374
tors. eta vs tors. theta energy: -17.322
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: 352
Temperature: 0.950000
Total energy: -235.005022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.005022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.038062 (E_RNA)
where:
Base-Base interactions energy: -170.449
where: short stacking energy: -72.855
Base-Backbone interact. energy: -0.005
local terms energy: -64.583180
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -6.098
tors. eta vs tors. theta energy: -18.901
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: 352
Temperature: 1.000000
Total energy: -215.454620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.454620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.459932 (E_RNA)
where:
Base-Base interactions energy: -145.210
where: short stacking energy: -58.075
Base-Backbone interact. energy: -0.098
local terms energy: -70.151460
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -16.671
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: 1
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -219.805306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.805306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.842872 (E_RNA)
where:
Base-Base interactions energy: -154.519
where: short stacking energy: -64.412
Base-Backbone interact. energy: -0.002
local terms energy: -65.322086
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -15.010
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: 352
Temperature: 1.100000
Total energy: -219.198463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.198463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.198463 (E_RNA)
where:
Base-Base interactions energy: -156.656
where: short stacking energy: -60.449
Base-Backbone interact. energy: -0.001
local terms energy: -62.541449
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -6.720
tors. eta vs tors. theta energy: -13.983
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -208.546812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.546812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.630453 (E_RNA)
where:
Base-Base interactions energy: -150.963
where: short stacking energy: -58.771
Base-Backbone interact. energy: -0.172
local terms energy: -57.495775
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -11.179
flat angles C4'-P-C4' energy: -10.352
flat angles P-C4'-P energy: -5.862
tors. eta vs tors. theta energy: -16.569
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -203.738867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.738867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.848492 (E_RNA)
where:
Base-Base interactions energy: -152.678
where: short stacking energy: -58.647
Base-Backbone interact. energy: -0.043
local terms energy: -51.126801
where:
bonds (distance) C4'-P energy: -11.226
bonds (distance) P-C4' energy: -6.806
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -5.130
tors. eta vs tors. theta energy: -13.770
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: 352
Temperature: 1.250000
Total energy: -199.335897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.335897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.413176 (E_RNA)
where:
Base-Base interactions energy: -144.713
where: short stacking energy: -60.375
Base-Backbone interact. energy: -0.001
local terms energy: -54.700102
where:
bonds (distance) C4'-P energy: -10.700
bonds (distance) P-C4' energy: -8.482
flat angles C4'-P-C4' energy: -11.040
flat angles P-C4'-P energy: -9.796
tors. eta vs tors. theta energy: -14.682
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -188.842445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.842445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.862965 (E_RNA)
where:
Base-Base interactions energy: -137.251
where: short stacking energy: -52.513
Base-Backbone interact. energy: -1.611
local terms energy: -50.000503
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -9.033
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -4.590
tors. eta vs tors. theta energy: -11.976
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: 5
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -176.795471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.795471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.904699 (E_RNA)
where:
Base-Base interactions energy: -130.266
where: short stacking energy: -56.242
Base-Backbone interact. energy: -0.035
local terms energy: -53.604108
where:
bonds (distance) C4'-P energy: -10.228
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -7.539
flat angles P-C4'-P energy: -4.635
tors. eta vs tors. theta energy: -16.842
Dist. restrs. and SS energy: 7.109 (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: 6
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -233.644693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.644693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.666145 (E_RNA)
where:
Base-Base interactions energy: -171.192
where: short stacking energy: -64.877
Base-Backbone interact. energy: -0.027
local terms energy: -62.447893
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -5.819
tors. eta vs tors. theta energy: -14.496
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: 9
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -211.361663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.361663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.393211 (E_RNA)
where:
Base-Base interactions energy: -144.904
where: short stacking energy: -60.353
Base-Backbone interact. energy: 0.390
local terms energy: -66.878996
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -13.344
flat angles P-C4'-P energy: -13.040
tors. eta vs tors. theta energy: -16.509
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: 10
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -210.866192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.866192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.952341 (E_RNA)
where:
Base-Base interactions energy: -147.181
where: short stacking energy: -58.061
Base-Backbone interact. energy: -0.045
local terms energy: -63.726328
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -8.962
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -16.150
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: 3
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -203.582481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.582481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.652454 (E_RNA)
where:
Base-Base interactions energy: -140.571
where: short stacking energy: -54.027
Base-Backbone interact. energy: -0.032
local terms energy: -63.049569
where:
bonds (distance) C4'-P energy: -10.943
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -13.390
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -215.944297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.944297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.047080 (E_RNA)
where:
Base-Base interactions energy: -159.194
where: short stacking energy: -64.454
Base-Backbone interact. energy: -0.001
local terms energy: -56.852567
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -0.949
tors. eta vs tors. theta energy: -16.059
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: 7
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -206.440578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.440578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.467903 (E_RNA)
where:
Base-Base interactions energy: -153.356
where: short stacking energy: -57.126
Base-Backbone interact. energy: -0.087
local terms energy: -53.024314
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -12.673
flat angles C4'-P-C4' energy: -9.995
flat angles P-C4'-P energy: -2.540
tors. eta vs tors. theta energy: -13.835
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -203.031228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.031228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.033383 (E_RNA)
where:
Base-Base interactions energy: -144.495
where: short stacking energy: -60.167
Base-Backbone interact. energy: -0.161
local terms energy: -58.377458
where:
bonds (distance) C4'-P energy: -9.660
bonds (distance) P-C4' energy: -10.210
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -16.677
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -209.804821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.804821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.862363 (E_RNA)
where:
Base-Base interactions energy: -146.733
where: short stacking energy: -60.503
Base-Backbone interact. energy: -0.249
local terms energy: -62.880349
where:
bonds (distance) C4'-P energy: -6.613
bonds (distance) P-C4' energy: -13.960
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -16.744
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -195.740459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.740459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.805302 (E_RNA)
where:
Base-Base interactions energy: -132.834
where: short stacking energy: -48.394
Base-Backbone interact. energy: -0.001
local terms energy: -62.970397
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -12.651
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -15.048
Dist. restrs. and SS energy: 0.065 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -180.530084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.530084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.057659 (E_RNA)
where:
Base-Base interactions energy: -131.801
where: short stacking energy: -59.482
Base-Backbone interact. energy: -0.186
local terms energy: -57.070357
where:
bonds (distance) C4'-P energy: -6.688
bonds (distance) P-C4' energy: -10.722
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -17.416
Dist. restrs. and SS energy: 8.528 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -236.830401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.830401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.868726 (E_RNA)
where:
Base-Base interactions energy: -170.637
where: short stacking energy: -68.914
Base-Backbone interact. energy: -0.349
local terms energy: -65.883032
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -5.409
tors. eta vs tors. theta energy: -17.599
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -221.511897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.511897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.653283 (E_RNA)
where:
Base-Base interactions energy: -151.285
where: short stacking energy: -67.560
Base-Backbone interact. energy: -0.045
local terms energy: -70.323167
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -16.979
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -219.997113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.997113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.131598 (E_RNA)
where:
Base-Base interactions energy: -162.835
where: short stacking energy: -61.142
Base-Backbone interact. energy: -0.012
local terms energy: -57.285336
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -9.505
flat angles C4'-P-C4' energy: -13.316
flat angles P-C4'-P energy: -3.922
tors. eta vs tors. theta energy: -16.313
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: 10
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -223.095215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.095215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.100149 (E_RNA)
where:
Base-Base interactions energy: -159.202
where: short stacking energy: -62.943
Base-Backbone interact. energy: -0.003
local terms energy: -63.894522
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -8.887
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -19.271
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: 354
Temperature: 1.100000
Total energy: -218.002687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.002687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.310599 (E_RNA)
where:
Base-Base interactions energy: -160.193
where: short stacking energy: -64.300
Base-Backbone interact. energy: -0.054
local terms energy: -58.063445
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -8.903
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -4.628
tors. eta vs tors. theta energy: -16.570
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: 6, replica: 1
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -205.155889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.155889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.186755 (E_RNA)
where:
Base-Base interactions energy: -145.753
where: short stacking energy: -58.204
Base-Backbone interact. energy: -0.044
local terms energy: -59.389873
where:
bonds (distance) C4'-P energy: -9.212
bonds (distance) P-C4' energy: -12.119
flat angles C4'-P-C4' energy: -11.989
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -15.874
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: 354
Temperature: 1.200000
Total energy: -197.734065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.734065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.820644 (E_RNA)
where:
Base-Base interactions energy: -143.401
where: short stacking energy: -53.335
Base-Backbone interact. energy: -0.015
local terms energy: -54.403984
where:
bonds (distance) C4'-P energy: -9.027
bonds (distance) P-C4' energy: -10.376
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: -14.230
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: 2
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -200.675504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.675504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.835863 (E_RNA)
where:
Base-Base interactions energy: -143.540
where: short stacking energy: -60.221
Base-Backbone interact. energy: -0.002
local terms energy: -57.294308
where:
bonds (distance) C4'-P energy: -7.924
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -12.672
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -13.510
Dist. restrs. and SS energy: 0.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -177.954952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.954952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.924250 (E_RNA)
where:
Base-Base interactions energy: -130.293
where: short stacking energy: -55.745
Base-Backbone interact. energy: -0.586
local terms energy: -55.044802
where:
bonds (distance) C4'-P energy: -6.672
bonds (distance) P-C4' energy: -11.087
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -6.022
tors. eta vs tors. theta energy: -16.541
Dist. restrs. and SS energy: 7.969 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -195.236173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.236173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.250956 (E_RNA)
where:
Base-Base interactions energy: -136.340
where: short stacking energy: -53.249
Base-Backbone interact. energy: -0.064
local terms energy: -58.846725
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -11.613
flat angles C4'-P-C4' energy: -10.947
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -13.225
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: 355
Temperature: 0.900000
Total energy: -241.087088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.087088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.123383 (E_RNA)
where:
Base-Base interactions energy: -180.019
where: short stacking energy: -75.112
Base-Backbone interact. energy: -0.042
local terms energy: -61.062603
where:
bonds (distance) C4'-P energy: -8.928
bonds (distance) P-C4' energy: -11.285
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -6.865
tors. eta vs tors. theta energy: -18.237
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -224.272237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.272237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.272237 (E_RNA)
where:
Base-Base interactions energy: -165.401
where: short stacking energy: -62.451
Base-Backbone interact. energy: -0.252
local terms energy: -58.619492
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -10.267
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -3.632
tors. eta vs tors. theta energy: -14.967
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -218.818405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.818405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.895177 (E_RNA)
where:
Base-Base interactions energy: -146.177
where: short stacking energy: -64.610
Base-Backbone interact. energy: -0.001
local terms energy: -72.717291
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -17.072
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -216.445640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.445640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.455038 (E_RNA)
where:
Base-Base interactions energy: -154.791
where: short stacking energy: -59.056
Base-Backbone interact. energy: -0.309
local terms energy: -61.355280
where:
bonds (distance) C4'-P energy: -11.406
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -16.157
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -204.841715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.841715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.875628 (E_RNA)
where:
Base-Base interactions energy: -143.529
where: short stacking energy: -57.772
Base-Backbone interact. energy: -0.185
local terms energy: -61.162120
where:
bonds (distance) C4'-P energy: -10.951
bonds (distance) P-C4' energy: -13.168
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -14.602
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -206.329066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.329066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.566865 (E_RNA)
where:
Base-Base interactions energy: -143.914
where: short stacking energy: -57.383
Base-Backbone interact. energy: -0.001
local terms energy: -62.651340
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -12.163
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -18.181
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: 1
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -206.145011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.145011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.406868 (E_RNA)
where:
Base-Base interactions energy: -143.857
where: short stacking energy: -61.580
Base-Backbone interact. energy: -0.456
local terms energy: -62.094105
where:
bonds (distance) C4'-P energy: -9.826
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -11.730
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -18.526
Dist. restrs. and SS energy: 0.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -180.886508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.886508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.792420 (E_RNA)
where:
Base-Base interactions energy: -134.095
where: short stacking energy: -57.108
Base-Backbone interact. energy: -0.000
local terms energy: -54.697286
where:
bonds (distance) C4'-P energy: -8.729
bonds (distance) P-C4' energy: -10.278
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -7.424
tors. eta vs tors. theta energy: -15.361
Dist. restrs. and SS energy: 7.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -200.477039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.477039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.485820 (E_RNA)
where:
Base-Base interactions energy: -142.586
where: short stacking energy: -55.574
Base-Backbone interact. energy: -0.037
local terms energy: -57.862432
where:
bonds (distance) C4'-P energy: -9.531
bonds (distance) P-C4' energy: -11.589
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -13.852
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: 8
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -201.972494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.972494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.226203 (E_RNA)
where:
Base-Base interactions energy: -148.571
where: short stacking energy: -58.284
Base-Backbone interact. energy: -0.070
local terms energy: -53.584925
where:
bonds (distance) C4'-P energy: -8.927
bonds (distance) P-C4' energy: -8.375
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: -15.183
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: 3
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -234.943280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.943280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.943907 (E_RNA)
where:
Base-Base interactions energy: -166.895
where: short stacking energy: -65.519
Base-Backbone interact. energy: -0.041
local terms energy: -68.007563
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -15.264
flat angles P-C4'-P energy: -5.604
tors. eta vs tors. theta energy: -16.566
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: 6
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -234.452962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.452962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.480358 (E_RNA)
where:
Base-Base interactions energy: -170.676
where: short stacking energy: -68.334
Base-Backbone interact. energy: -0.544
local terms energy: -63.260328
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -7.526
tors. eta vs tors. theta energy: -14.723
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: 3, replica: 7
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -210.674211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.674211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.759486 (E_RNA)
where:
Base-Base interactions energy: -142.420
where: short stacking energy: -58.087
Base-Backbone interact. energy: -0.056
local terms energy: -68.283505
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -13.965
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -212.854485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.854485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.885602 (E_RNA)
where:
Base-Base interactions energy: -153.708
where: short stacking energy: -63.952
Base-Backbone interact. energy: -0.000
local terms energy: -59.177392
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -12.704
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -7.401
tors. eta vs tors. theta energy: -15.124
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: 4
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -207.650955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.650955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.793161 (E_RNA)
where:
Base-Base interactions energy: -140.510
where: short stacking energy: -57.267
Base-Backbone interact. energy: -0.000
local terms energy: -67.282657
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -12.432
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -14.812
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -207.965890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.965890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.050587 (E_RNA)
where:
Base-Base interactions energy: -146.549
where: short stacking energy: -59.562
Base-Backbone interact. energy: -0.005
local terms energy: -61.496825
where:
bonds (distance) C4'-P energy: -9.814
bonds (distance) P-C4' energy: -13.314
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -17.049
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: 1
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -200.040288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.040288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.040288 (E_RNA)
where:
Base-Base interactions energy: -140.206
where: short stacking energy: -54.272
Base-Backbone interact. energy: -0.107
local terms energy: -59.727311
where:
bonds (distance) C4'-P energy: -9.898
bonds (distance) P-C4' energy: -12.652
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -13.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -176.369770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.369770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.276086 (E_RNA)
where:
Base-Base interactions energy: -126.839
where: short stacking energy: -49.284
Base-Backbone interact. energy: -1.514
local terms energy: -55.923536
where:
bonds (distance) C4'-P energy: -9.731
bonds (distance) P-C4' energy: -10.276
flat angles C4'-P-C4' energy: -13.251
flat angles P-C4'-P energy: -7.353
tors. eta vs tors. theta energy: -15.312
Dist. restrs. and SS energy: 7.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -192.108215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.108215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.141517 (E_RNA)
where:
Base-Base interactions energy: -134.941
where: short stacking energy: -52.044
Base-Backbone interact. energy: -0.003
local terms energy: -57.197412
where:
bonds (distance) C4'-P energy: -14.076
bonds (distance) P-C4' energy: -11.324
flat angles C4'-P-C4' energy: -8.576
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -14.412
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -195.528617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.528617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.655288 (E_RNA)
where:
Base-Base interactions energy: -136.590
where: short stacking energy: -50.556
Base-Backbone interact. energy: -0.111
local terms energy: -58.954077
where:
bonds (distance) C4'-P energy: -9.556
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -13.364
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: 357
Temperature: 0.900000
Total energy: -237.743535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.743535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.846615 (E_RNA)
where:
Base-Base interactions energy: -170.564
where: short stacking energy: -70.871
Base-Backbone interact. energy: -0.102
local terms energy: -67.180534
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -6.912
tors. eta vs tors. theta energy: -18.559
Dist. restrs. and SS energy: 0.103 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -220.110927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.110927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.110927 (E_RNA)
where:
Base-Base interactions energy: -160.170
where: short stacking energy: -58.403
Base-Backbone interact. energy: -0.088
local terms energy: -59.853457
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -7.227
tors. eta vs tors. theta energy: -15.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -233.511122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.511122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.548441 (E_RNA)
where:
Base-Base interactions energy: -170.301
where: short stacking energy: -64.951
Base-Backbone interact. energy: -0.191
local terms energy: -63.056315
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -6.322
tors. eta vs tors. theta energy: -17.223
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: 4
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -214.783599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.783599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.993965 (E_RNA)
where:
Base-Base interactions energy: -146.168
where: short stacking energy: -59.327
Base-Backbone interact. energy: -0.221
local terms energy: -68.605024
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -18.249
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: 9
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -204.424520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.424520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.650365 (E_RNA)
where:
Base-Base interactions energy: -144.198
where: short stacking energy: -57.944
Base-Backbone interact. energy: -0.450
local terms energy: -60.002164
where:
bonds (distance) C4'-P energy: -10.537
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -12.743
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: 1
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -203.577077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.577077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.686656 (E_RNA)
where:
Base-Base interactions energy: -146.954
where: short stacking energy: -53.136
Base-Backbone interact. energy: -0.104
local terms energy: -56.628810
where:
bonds (distance) C4'-P energy: -10.146
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: -13.081
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -198.984478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.984478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.026171 (E_RNA)
where:
Base-Base interactions energy: -139.373
where: short stacking energy: -56.144
Base-Backbone interact. energy: -0.002
local terms energy: -59.651463
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -10.259
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -13.543
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: 8
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -200.878401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.878401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.960763 (E_RNA)
where:
Base-Base interactions energy: -137.346
where: short stacking energy: -57.721
Base-Backbone interact. energy: 0.177
local terms energy: -63.792507
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -13.577
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -13.792
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: 5
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -178.303989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.303989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.701473 (E_RNA)
where:
Base-Base interactions energy: -128.082
where: short stacking energy: -51.019
Base-Backbone interact. energy: -0.159
local terms energy: -57.460296
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -10.352
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -6.705
tors. eta vs tors. theta energy: -15.914
Dist. restrs. and SS energy: 7.397 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -192.098172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.098172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.137938 (E_RNA)
where:
Base-Base interactions energy: -134.502
where: short stacking energy: -55.590
Base-Backbone interact. energy: -0.120
local terms energy: -57.514997
where:
bonds (distance) C4'-P energy: -11.519
bonds (distance) P-C4' energy: -10.536
flat angles C4'-P-C4' energy: -11.541
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -14.062
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -233.949815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.949815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.955751 (E_RNA)
where:
Base-Base interactions energy: -171.502
where: short stacking energy: -69.724
Base-Backbone interact. energy: -0.003
local terms energy: -62.449932
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -6.056
tors. eta vs tors. theta energy: -17.904
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: 358
Temperature: 0.950000
Total energy: -225.804185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.804185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.813586 (E_RNA)
where:
Base-Base interactions energy: -166.133
where: short stacking energy: -69.344
Base-Backbone interact. energy: -0.001
local terms energy: -59.679355
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -11.728
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -3.098
tors. eta vs tors. theta energy: -18.894
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -226.314090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.314090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.328723 (E_RNA)
where:
Base-Base interactions energy: -164.933
where: short stacking energy: -65.655
Base-Backbone interact. energy: -0.381
local terms energy: -61.014657
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -10.122
flat angles P-C4'-P energy: -4.133
tors. eta vs tors. theta energy: -19.724
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: 4
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -208.112639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.112639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.258431 (E_RNA)
where:
Base-Base interactions energy: -146.120
where: short stacking energy: -61.393
Base-Backbone interact. energy: -0.037
local terms energy: -62.101407
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -10.129
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -215.434575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.434575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.450467 (E_RNA)
where:
Base-Base interactions energy: -161.152
where: short stacking energy: -58.699
Base-Backbone interact. energy: -0.080
local terms energy: -54.218098
where:
bonds (distance) C4'-P energy: -10.261
bonds (distance) P-C4' energy: -11.628
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -5.002
tors. eta vs tors. theta energy: -14.095
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: 358
Temperature: 1.150000
Total energy: -207.990615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.990615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.125792 (E_RNA)
where:
Base-Base interactions energy: -150.247
where: short stacking energy: -60.420
Base-Backbone interact. energy: -0.532
local terms energy: -57.346369
where:
bonds (distance) C4'-P energy: -10.075
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: -11.784
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: 8
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -200.278841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.278841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.301328 (E_RNA)
where:
Base-Base interactions energy: -139.219
where: short stacking energy: -60.142
Base-Backbone interact. energy: -0.061
local terms energy: -61.020944
where:
bonds (distance) C4'-P energy: -7.292
bonds (distance) P-C4' energy: -12.562
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -16.385
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: 10
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -199.840418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.840418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.862602 (E_RNA)
where:
Base-Base interactions energy: -140.480
where: short stacking energy: -56.404
Base-Backbone interact. energy: -0.044
local terms energy: -59.338544
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -11.725
flat angles C4'-P-C4' energy: -10.519
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -17.320
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -195.585690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.585690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.632884 (E_RNA)
where:
Base-Base interactions energy: -142.425
where: short stacking energy: -57.821
Base-Backbone interact. energy: -0.035
local terms energy: -53.173469
where:
bonds (distance) C4'-P energy: -9.595
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -9.428
flat angles P-C4'-P energy: -4.913
tors. eta vs tors. theta energy: -14.740
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: 358
Temperature: 1.350000
Total energy: -182.372105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.372105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.610759 (E_RNA)
where:
Base-Base interactions energy: -136.483
where: short stacking energy: -57.842
Base-Backbone interact. energy: -0.000
local terms energy: -54.126938
where:
bonds (distance) C4'-P energy: -8.124
bonds (distance) P-C4' energy: -9.436
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -14.360
Dist. restrs. and SS energy: 8.239 (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: 3
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -229.896864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.896864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.919564 (E_RNA)
where:
Base-Base interactions energy: -165.564
where: short stacking energy: -62.083
Base-Backbone interact. energy: -0.012
local terms energy: -64.343449
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -12.355
flat angles P-C4'-P energy: -4.946
tors. eta vs tors. theta energy: -17.737
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: 7
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -223.425071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.425071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.534895 (E_RNA)
where:
Base-Base interactions energy: -166.518
where: short stacking energy: -67.677
Base-Backbone interact. energy: -0.000
local terms energy: -57.016169
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -9.892
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -2.708
tors. eta vs tors. theta energy: -17.972
Dist. restrs. and SS energy: 0.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -236.432853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.432853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.504402 (E_RNA)
where:
Base-Base interactions energy: -171.094
where: short stacking energy: -67.508
Base-Backbone interact. energy: -0.112
local terms energy: -65.298866
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -5.412
tors. eta vs tors. theta energy: -19.699
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -223.379684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.379684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.431542 (E_RNA)
where:
Base-Base interactions energy: -164.093
where: short stacking energy: -61.413
Base-Backbone interact. energy: -0.044
local terms energy: -59.294557
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -11.865
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -4.123
tors. eta vs tors. theta energy: -18.339
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: 5, replica: 4
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -209.111312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.111312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.168934 (E_RNA)
where:
Base-Base interactions energy: -146.930
where: short stacking energy: -62.871
Base-Backbone interact. energy: -0.013
local terms energy: -62.226103
where:
bonds (distance) C4'-P energy: -8.553
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -15.538
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -205.549535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.549535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.568285 (E_RNA)
where:
Base-Base interactions energy: -145.399
where: short stacking energy: -58.785
Base-Backbone interact. energy: -0.689
local terms energy: -59.480286
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -12.302
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -200.419389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.419389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.451042 (E_RNA)
where:
Base-Base interactions energy: -141.227
where: short stacking energy: -55.877
Base-Backbone interact. energy: 0.400
local terms energy: -59.623565
where:
bonds (distance) C4'-P energy: -9.433
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -14.259
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: 359
Temperature: 1.250000
Total energy: -197.737497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.737497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.922875 (E_RNA)
where:
Base-Base interactions energy: -138.893
where: short stacking energy: -58.977
Base-Backbone interact. energy: 0.112
local terms energy: -59.141723
where:
bonds (distance) C4'-P energy: -11.191
bonds (distance) P-C4' energy: -9.715
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -9.635
tors. eta vs tors. theta energy: -13.505
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: 2
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -198.741139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.741139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.741139 (E_RNA)
where:
Base-Base interactions energy: -139.420
where: short stacking energy: -59.146
Base-Backbone interact. energy: 0.486
local terms energy: -59.807231
where:
bonds (distance) C4'-P energy: -8.858
bonds (distance) P-C4' energy: -12.054
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -15.715
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -170.615191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.615191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.909732 (E_RNA)
where:
Base-Base interactions energy: -118.209
where: short stacking energy: -53.300
Base-Backbone interact. energy: -0.164
local terms energy: -59.536579
where:
bonds (distance) C4'-P energy: -9.217
bonds (distance) P-C4' energy: -12.649
flat angles C4'-P-C4' energy: -10.900
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -15.639
Dist. restrs. and SS energy: 7.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -234.970842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.970842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.987612 (E_RNA)
where:
Base-Base interactions energy: -168.336
where: short stacking energy: -67.975
Base-Backbone interact. energy: -0.005
local terms energy: -66.646267
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -5.991
tors. eta vs tors. theta energy: -17.273
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: 360
Temperature: 0.950000
Total energy: -220.500482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.500482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.589229 (E_RNA)
where:
Base-Base interactions energy: -160.351
where: short stacking energy: -66.027
Base-Backbone interact. energy: -0.168
local terms energy: -60.070019
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: -17.245
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -212.993685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.993685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.013987 (E_RNA)
where:
Base-Base interactions energy: -156.537
where: short stacking energy: -59.157
Base-Backbone interact. energy: -0.314
local terms energy: -56.163305
where:
bonds (distance) C4'-P energy: -12.717
bonds (distance) P-C4' energy: -9.605
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -2.444
tors. eta vs tors. theta energy: -18.133
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: 360
Temperature: 1.050000
Total energy: -228.094342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.094342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.143091 (E_RNA)
where:
Base-Base interactions energy: -169.162
where: short stacking energy: -67.518
Base-Backbone interact. energy: -0.211
local terms energy: -58.769930
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -15.809
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -4.409
tors. eta vs tors. theta energy: -14.449
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -205.240441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.240441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.276044 (E_RNA)
where:
Base-Base interactions energy: -140.547
where: short stacking energy: -58.094
Base-Backbone interact. energy: -0.209
local terms energy: -64.519510
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -13.755
flat angles C4'-P-C4' energy: -14.120
flat angles P-C4'-P energy: -8.747
tors. eta vs tors. theta energy: -15.231
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -201.937400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.937400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.104710 (E_RNA)
where:
Base-Base interactions energy: -145.281
where: short stacking energy: -55.889
Base-Backbone interact. energy: -0.776
local terms energy: -56.048530
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -12.446
flat angles C4'-P-C4' energy: -10.682
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: -13.331
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: 7, replica: 10
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -204.205554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.205554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.211236 (E_RNA)
where:
Base-Base interactions energy: -145.980
where: short stacking energy: -60.815
Base-Backbone interact. energy: -0.121
local terms energy: -58.110119
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -10.412
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: -13.741
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: 9
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -209.437646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.437646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.599219 (E_RNA)
where:
Base-Base interactions energy: -143.627
where: short stacking energy: -66.481
Base-Backbone interact. energy: -0.001
local terms energy: -65.970771
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -12.381
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -10.093
tors. eta vs tors. theta energy: -17.954
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: 9, replica: 5
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -178.045641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.045641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.083080 (E_RNA)
where:
Base-Base interactions energy: -128.847
where: short stacking energy: -53.865
Base-Backbone interact. energy: -0.018
local terms energy: -57.217372
where:
bonds (distance) C4'-P energy: -6.894
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -11.786
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -13.657
Dist. restrs. and SS energy: 8.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -198.710869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.710869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.818211 (E_RNA)
where:
Base-Base interactions energy: -148.667
where: short stacking energy: -59.743
Base-Backbone interact. energy: -0.627
local terms energy: -49.524275
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -10.787
flat angles C4'-P-C4' energy: -12.164
flat angles P-C4'-P energy: -2.963
tors. eta vs tors. theta energy: -11.677
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -232.375126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.375126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.442159 (E_RNA)
where:
Base-Base interactions energy: -170.514
where: short stacking energy: -62.494
Base-Backbone interact. energy: -0.008
local terms energy: -61.920587
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -12.348
flat angles P-C4'-P energy: -4.990
tors. eta vs tors. theta energy: -16.447
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -230.679685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.679685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.783530 (E_RNA)
where:
Base-Base interactions energy: -165.091
where: short stacking energy: -64.857
Base-Backbone interact. energy: -0.099
local terms energy: -65.593315
where:
bonds (distance) C4'-P energy: -11.945
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -6.869
tors. eta vs tors. theta energy: -18.670
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: 7
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -227.281962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.281962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.366079 (E_RNA)
where:
Base-Base interactions energy: -165.752
where: short stacking energy: -66.995
Base-Backbone interact. energy: -0.169
local terms energy: -61.445556
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -7.124
tors. eta vs tors. theta energy: -18.163
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -207.397197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.397197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.433569 (E_RNA)
where:
Base-Base interactions energy: -148.924
where: short stacking energy: -54.543
Base-Backbone interact. energy: -0.080
local terms energy: -58.429441
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -10.821
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -14.727
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -225.353961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.353961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.510885 (E_RNA)
where:
Base-Base interactions energy: -164.215
where: short stacking energy: -69.905
Base-Backbone interact. energy: -0.073
local terms energy: -61.222103
where:
bonds (distance) C4'-P energy: -10.595
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -4.363
tors. eta vs tors. theta energy: -17.658
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -199.092911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.092911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.113877 (E_RNA)
where:
Base-Base interactions energy: -134.051
where: short stacking energy: -57.663
Base-Backbone interact. energy: -0.358
local terms energy: -64.705712
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -14.352
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -15.744
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -200.183930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.183930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.213017 (E_RNA)
where:
Base-Base interactions energy: -134.021
where: short stacking energy: -52.414
Base-Backbone interact. energy: -0.395
local terms energy: -65.797734
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -12.330
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -16.504
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: 5
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -180.703341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.703341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.602367 (E_RNA)
where:
Base-Base interactions energy: -126.066
where: short stacking energy: -51.655
Base-Backbone interact. energy: -0.290
local terms energy: -62.247156
where:
bonds (distance) C4'-P energy: -10.736
bonds (distance) P-C4' energy: -11.677
flat angles C4'-P-C4' energy: -14.735
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -16.635
Dist. restrs. and SS energy: 7.899 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -197.579902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.579902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.612860 (E_RNA)
where:
Base-Base interactions energy: -135.344
where: short stacking energy: -50.248
Base-Backbone interact. energy: -0.008
local terms energy: -62.261282
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -11.901
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -15.281
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -187.064699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.064699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.188678 (E_RNA)
where:
Base-Base interactions energy: -130.586
where: short stacking energy: -49.232
Base-Backbone interact. energy: -0.586
local terms energy: -56.016818
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -10.162
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -11.086
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: 1
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -239.194167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.194167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.270351 (E_RNA)
where:
Base-Base interactions energy: -174.476
where: short stacking energy: -71.868
Base-Backbone interact. energy: -0.491
local terms energy: -64.303210
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -5.587
tors. eta vs tors. theta energy: -18.398
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -220.156589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.156589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.194485 (E_RNA)
where:
Base-Base interactions energy: -160.630
where: short stacking energy: -62.169
Base-Backbone interact. energy: -0.098
local terms energy: -59.465576
where:
bonds (distance) C4'-P energy: -11.899
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -1.704
tors. eta vs tors. theta energy: -18.976
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -231.129944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.129944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.135137 (E_RNA)
where:
Base-Base interactions energy: -164.969
where: short stacking energy: -66.412
Base-Backbone interact. energy: -0.145
local terms energy: -66.020889
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: -19.171
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: 362
Temperature: 1.050000
Total energy: -211.498284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.498284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.546371 (E_RNA)
where:
Base-Base interactions energy: -152.788
where: short stacking energy: -59.952
Base-Backbone interact. energy: -0.435
local terms energy: -58.323479
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -9.324
flat angles C4'-P-C4' energy: -12.703
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -14.533
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -217.114166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.114166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.189065 (E_RNA)
where:
Base-Base interactions energy: -158.181
where: short stacking energy: -60.921
Base-Backbone interact. energy: -0.008
local terms energy: -59.000862
where:
bonds (distance) C4'-P energy: -12.305
bonds (distance) P-C4' energy: -11.865
flat angles C4'-P-C4' energy: -13.745
flat angles P-C4'-P energy: -5.642
tors. eta vs tors. theta energy: -15.443
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: 4
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -197.322065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.322065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.326022 (E_RNA)
where:
Base-Base interactions energy: -137.388
where: short stacking energy: -55.409
Base-Backbone interact. energy: -0.042
local terms energy: -59.896272
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -11.521
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -10.530
tors. eta vs tors. theta energy: -12.704
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: 10
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -207.440898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.440898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.518665 (E_RNA)
where:
Base-Base interactions energy: -149.552
where: short stacking energy: -63.393
Base-Backbone interact. energy: 2.041
local terms energy: -60.008111
where:
bonds (distance) C4'-P energy: -9.453
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -12.408
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -15.006
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: 5
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -194.098536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.098536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.115061 (E_RNA)
where:
Base-Base interactions energy: -142.364
where: short stacking energy: -61.950
Base-Backbone interact. energy: -0.003
local terms energy: -58.748507
where:
bonds (distance) C4'-P energy: -10.020
bonds (distance) P-C4' energy: -12.249
flat angles C4'-P-C4' energy: -13.695
flat angles P-C4'-P energy: -6.872
tors. eta vs tors. theta energy: -15.913
Dist. restrs. and SS energy: 7.017 (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: 2
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -204.023729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.023729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.524179 (E_RNA)
where:
Base-Base interactions energy: -147.073
where: short stacking energy: -56.808
Base-Backbone interact. energy: -0.858
local terms energy: -56.593247
where:
bonds (distance) C4'-P energy: -10.770
bonds (distance) P-C4' energy: -10.249
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -4.148
tors. eta vs tors. theta energy: -17.741
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: 10, replica: 9
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -187.396788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.396788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.449502 (E_RNA)
where:
Base-Base interactions energy: -147.465
where: short stacking energy: -51.608
Base-Backbone interact. energy: 0.889
local terms energy: -40.873299
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: 0.928
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: -11.462
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -230.375808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.375808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.392956 (E_RNA)
where:
Base-Base interactions energy: -167.165
where: short stacking energy: -63.496
Base-Backbone interact. energy: -0.019
local terms energy: -63.209249
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -11.472
flat angles P-C4'-P energy: -6.735
tors. eta vs tors. theta energy: -16.372
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: 3
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -238.932783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.932783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.935774 (E_RNA)
where:
Base-Base interactions energy: -174.930
where: short stacking energy: -73.735
Base-Backbone interact. energy: -1.474
local terms energy: -62.531923
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -5.954
tors. eta vs tors. theta energy: -16.906
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -214.718330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.718330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.838045 (E_RNA)
where:
Base-Base interactions energy: -147.729
where: short stacking energy: -58.539
Base-Backbone interact. energy: -0.015
local terms energy: -67.093918
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -10.125
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -18.300
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: 8
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -213.208378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.208378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.296934 (E_RNA)
where:
Base-Base interactions energy: -148.204
where: short stacking energy: -63.918
Base-Backbone interact. energy: -0.005
local terms energy: -65.087413
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -9.571
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -18.064
Dist. restrs. and SS energy: 0.089 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -208.978938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.978938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.189617 (E_RNA)
where:
Base-Base interactions energy: -148.307
where: short stacking energy: -58.280
Base-Backbone interact. energy: -0.166
local terms energy: -60.716876
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -13.730
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -6.347
tors. eta vs tors. theta energy: -16.377
Dist. restrs. and SS energy: 0.211 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -215.122543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.122543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.145955 (E_RNA)
where:
Base-Base interactions energy: -151.599
where: short stacking energy: -58.152
Base-Backbone interact. energy: -0.010
local terms energy: -63.536359
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -6.247
tors. eta vs tors. theta energy: -17.638
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -198.436704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.436704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.480511 (E_RNA)
where:
Base-Base interactions energy: -142.745
where: short stacking energy: -63.985
Base-Backbone interact. energy: -0.227
local terms energy: -55.508513
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -9.047
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -13.724
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: 363
Temperature: 1.250000
Total energy: -202.526790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.526790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.528761 (E_RNA)
where:
Base-Base interactions energy: -143.824
where: short stacking energy: -54.746
Base-Backbone interact. energy: -0.391
local terms energy: -58.313724
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -9.036
flat angles C4'-P-C4' energy: -12.135
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -13.184
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -176.534098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.534098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.950232 (E_RNA)
where:
Base-Base interactions energy: -123.784
where: short stacking energy: -50.768
Base-Backbone interact. energy: -0.032
local terms energy: -60.133625
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -10.928
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -7.804
tors. eta vs tors. theta energy: -14.059
Dist. restrs. and SS energy: 7.416 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -195.879110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.879110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.183613 (E_RNA)
where:
Base-Base interactions energy: -133.399
where: short stacking energy: -56.883
Base-Backbone interact. energy: 1.088
local terms energy: -63.873012
where:
bonds (distance) C4'-P energy: -9.441
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -16.560
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: 3
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -238.847276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.847276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.920135 (E_RNA)
where:
Base-Base interactions energy: -170.471
where: short stacking energy: -71.878
Base-Backbone interact. energy: -0.292
local terms energy: -68.156595
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -4.953
tors. eta vs tors. theta energy: -18.177
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: 1
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -230.299631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.299631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.393983 (E_RNA)
where:
Base-Base interactions energy: -166.548
where: short stacking energy: -66.425
Base-Backbone interact. energy: -0.036
local terms energy: -63.809580
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -16.002
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -3.274
tors. eta vs tors. theta energy: -15.833
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: 8
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -228.146192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.146192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.226588 (E_RNA)
where:
Base-Base interactions energy: -167.113
where: short stacking energy: -66.932
Base-Backbone interact. energy: -0.011
local terms energy: -61.102160
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -3.640
tors. eta vs tors. theta energy: -16.825
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -217.247347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.247347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.269253 (E_RNA)
where:
Base-Base interactions energy: -163.137
where: short stacking energy: -63.937
Base-Backbone interact. energy: -0.567
local terms energy: -53.564997
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -9.500
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -4.455
tors. eta vs tors. theta energy: -17.172
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: 364
Temperature: 1.100000
Total energy: -208.270743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.270743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.318755 (E_RNA)
where:
Base-Base interactions energy: -143.770
where: short stacking energy: -59.246
Base-Backbone interact. energy: -0.010
local terms energy: -64.539061
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -14.786
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: 364
Temperature: 1.150000
Total energy: -199.686608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.686608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.723647 (E_RNA)
where:
Base-Base interactions energy: -140.665
where: short stacking energy: -59.243
Base-Backbone interact. energy: -0.001
local terms energy: -59.058036
where:
bonds (distance) C4'-P energy: -10.905
bonds (distance) P-C4' energy: -10.990
flat angles C4'-P-C4' energy: -9.726
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -19.095
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: 2
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -199.582102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.582102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.617189 (E_RNA)
where:
Base-Base interactions energy: -133.046
where: short stacking energy: -53.002
Base-Backbone interact. energy: -0.273
local terms energy: -66.298598
where:
bonds (distance) C4'-P energy: -10.185
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -14.959
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -17.573
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: 4
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -195.958371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.958371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.098155 (E_RNA)
where:
Base-Base interactions energy: -143.751
where: short stacking energy: -59.450
Base-Backbone interact. energy: 1.596
local terms energy: -53.942611
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -13.076
flat angles C4'-P-C4' energy: -11.171
flat angles P-C4'-P energy: -5.564
tors. eta vs tors. theta energy: -12.074
Dist. restrs. and SS energy: 0.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -198.163926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.163926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.172650 (E_RNA)
where:
Base-Base interactions energy: -135.722
where: short stacking energy: -54.162
Base-Backbone interact. energy: -0.102
local terms energy: -62.349127
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -14.232
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: 364
Temperature: 1.350000
Total energy: -174.731427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.731427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.972103 (E_RNA)
where:
Base-Base interactions energy: -124.110
where: short stacking energy: -53.198
Base-Backbone interact. energy: -0.280
local terms energy: -57.582022
where:
bonds (distance) C4'-P energy: -12.880
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -6.730
tors. eta vs tors. theta energy: -12.880
Dist. restrs. and SS energy: 7.241 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -240.400687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.400687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.401499 (E_RNA)
where:
Base-Base interactions energy: -176.954
where: short stacking energy: -71.785
Base-Backbone interact. energy: -0.002
local terms energy: -63.445248
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -4.475
tors. eta vs tors. theta energy: -16.327
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: 365
Temperature: 0.950000
Total energy: -236.719552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.719552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.758160 (E_RNA)
where:
Base-Base interactions energy: -175.167
where: short stacking energy: -71.342
Base-Backbone interact. energy: -0.256
local terms energy: -61.334736
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -14.292
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -3.730
tors. eta vs tors. theta energy: -16.011
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -225.498778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.498778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.616269 (E_RNA)
where:
Base-Base interactions energy: -168.939
where: short stacking energy: -65.615
Base-Backbone interact. energy: -0.129
local terms energy: -56.548477
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -3.089
tors. eta vs tors. theta energy: -14.974
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: 7
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -222.072900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.072900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.142360 (E_RNA)
where:
Base-Base interactions energy: -163.692
where: short stacking energy: -65.839
Base-Backbone interact. energy: -0.707
local terms energy: -57.744137
where:
bonds (distance) C4'-P energy: -10.425
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -4.438
tors. eta vs tors. theta energy: -16.175
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: 10
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -207.026840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.026840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.038369 (E_RNA)
where:
Base-Base interactions energy: -143.316
where: short stacking energy: -59.901
Base-Backbone interact. energy: -0.009
local terms energy: -63.713374
where:
bonds (distance) C4'-P energy: -12.582
bonds (distance) P-C4' energy: -9.815
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -16.354
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: 365
Temperature: 1.150000
Total energy: -206.312262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.312262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.365794 (E_RNA)
where:
Base-Base interactions energy: -145.166
where: short stacking energy: -53.784
Base-Backbone interact. energy: -0.001
local terms energy: -61.198571
where:
bonds (distance) C4'-P energy: -11.864
bonds (distance) P-C4' energy: -13.179
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -15.421
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: 6
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -206.607832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.607832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.833277 (E_RNA)
where:
Base-Base interactions energy: -143.121
where: short stacking energy: -57.617
Base-Backbone interact. energy: -0.136
local terms energy: -63.576670
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -11.094
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -18.045
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: 9
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -204.182471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.182471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.182471 (E_RNA)
where:
Base-Base interactions energy: -144.151
where: short stacking energy: -54.209
Base-Backbone interact. energy: -0.086
local terms energy: -59.944904
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -8.081
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -16.101
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -198.018934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.018934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.089736 (E_RNA)
where:
Base-Base interactions energy: -150.863
where: short stacking energy: -56.306
Base-Backbone interact. energy: -0.052
local terms energy: -47.175180
where:
bonds (distance) C4'-P energy: -9.528
bonds (distance) P-C4' energy: -6.723
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -4.381
tors. eta vs tors. theta energy: -14.124
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: 365
Temperature: 1.350000
Total energy: -170.393266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.393266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.777753 (E_RNA)
where:
Base-Base interactions energy: -126.569
where: short stacking energy: -52.573
Base-Backbone interact. energy: -0.220
local terms energy: -50.988851
where:
bonds (distance) C4'-P energy: -6.919
bonds (distance) P-C4' energy: -8.657
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -6.645
tors. eta vs tors. theta energy: -15.132
Dist. restrs. and SS energy: 7.384 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -225.536738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.536738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.580144 (E_RNA)
where:
Base-Base interactions energy: -160.799
where: short stacking energy: -62.842
Base-Backbone interact. energy: -0.004
local terms energy: -64.777258
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -6.693
tors. eta vs tors. theta energy: -14.262
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: 1
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -229.718042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.718042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.768948 (E_RNA)
where:
Base-Base interactions energy: -165.340
where: short stacking energy: -62.794
Base-Backbone interact. energy: -0.310
local terms energy: -64.118668
where:
bonds (distance) C4'-P energy: -11.614
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -4.737
tors. eta vs tors. theta energy: -19.159
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: 7
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -223.552976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.552976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.552976 (E_RNA)
where:
Base-Base interactions energy: -169.018
where: short stacking energy: -66.614
Base-Backbone interact. energy: -0.113
local terms energy: -54.421428
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -12.139
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -1.259
tors. eta vs tors. theta energy: -16.106
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: 8
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -226.232196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.232196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.232196 (E_RNA)
where:
Base-Base interactions energy: -167.829
where: short stacking energy: -68.502
Base-Backbone interact. energy: -0.217
local terms energy: -58.186569
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -12.185
flat angles P-C4'-P energy: -3.633
tors. eta vs tors. theta energy: -16.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -203.875599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.875599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.981532 (E_RNA)
where:
Base-Base interactions energy: -142.207
where: short stacking energy: -57.809
Base-Backbone interact. energy: -0.025
local terms energy: -61.749274
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -13.805
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -16.362
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -208.492356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.492356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.587197 (E_RNA)
where:
Base-Base interactions energy: -144.313
where: short stacking energy: -65.030
Base-Backbone interact. energy: -0.001
local terms energy: -64.272637
where:
bonds (distance) C4'-P energy: -11.515
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -15.496
Dist. restrs. and SS energy: 0.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -199.630525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.630525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.657197 (E_RNA)
where:
Base-Base interactions energy: -149.948
where: short stacking energy: -56.422
Base-Backbone interact. energy: -0.884
local terms energy: -48.825661
where:
bonds (distance) C4'-P energy: -6.286
bonds (distance) P-C4' energy: -11.369
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -7.136
tors. eta vs tors. theta energy: -10.114
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: 366
Temperature: 1.250000
Total energy: -201.786456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.786456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.786456 (E_RNA)
where:
Base-Base interactions energy: -140.762
where: short stacking energy: -57.016
Base-Backbone interact. energy: -0.211
local terms energy: -60.813267
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -10.149
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -13.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -175.850221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.850221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.129630 (E_RNA)
where:
Base-Base interactions energy: -128.330
where: short stacking energy: -54.127
Base-Backbone interact. energy: -0.485
local terms energy: -54.314861
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -9.231
flat angles P-C4'-P energy: -6.781
tors. eta vs tors. theta energy: -11.847
Dist. restrs. and SS energy: 7.279 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -188.852274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.852274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.285995 (E_RNA)
where:
Base-Base interactions energy: -131.786
where: short stacking energy: -48.956
Base-Backbone interact. energy: -0.193
local terms energy: -57.307368
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -10.548
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -10.513
Dist. restrs. and SS energy: 0.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -231.543274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.543274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.635892 (E_RNA)
where:
Base-Base interactions energy: -164.704
where: short stacking energy: -66.656
Base-Backbone interact. energy: -0.008
local terms energy: -66.924178
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -14.994
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -5.978
tors. eta vs tors. theta energy: -17.734
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: 1
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -226.930021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.930021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.993154 (E_RNA)
where:
Base-Base interactions energy: -162.588
where: short stacking energy: -59.361
Base-Backbone interact. energy: -0.094
local terms energy: -64.311226
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -5.585
tors. eta vs tors. theta energy: -18.296
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: 7
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -211.320177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.320177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.332616 (E_RNA)
where:
Base-Base interactions energy: -154.716
where: short stacking energy: -58.861
Base-Backbone interact. energy: -0.001
local terms energy: -56.615584
where:
bonds (distance) C4'-P energy: -10.114
bonds (distance) P-C4' energy: -10.802
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -6.626
tors. eta vs tors. theta energy: -15.628
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: 2
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -217.915258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.915258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.963404 (E_RNA)
where:
Base-Base interactions energy: -149.385
where: short stacking energy: -64.408
Base-Backbone interact. energy: -0.216
local terms energy: -68.362452
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -10.752
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -18.249
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -209.763559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.763559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.763559 (E_RNA)
where:
Base-Base interactions energy: -146.387
where: short stacking energy: -60.574
Base-Backbone interact. energy: -0.043
local terms energy: -63.334196
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -11.484
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -17.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -205.507049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.507049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.525097 (E_RNA)
where:
Base-Base interactions energy: -147.513
where: short stacking energy: -59.273
Base-Backbone interact. energy: -0.001
local terms energy: -58.011266
where:
bonds (distance) C4'-P energy: -8.981
bonds (distance) P-C4' energy: -11.749
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -14.897
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -192.263882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.263882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.344363 (E_RNA)
where:
Base-Base interactions energy: -137.656
where: short stacking energy: -54.541
Base-Backbone interact. energy: -0.481
local terms energy: -54.206689
where:
bonds (distance) C4'-P energy: -8.343
bonds (distance) P-C4' energy: -8.352
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -14.619
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -204.176120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.176120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.244759 (E_RNA)
where:
Base-Base interactions energy: -141.124
where: short stacking energy: -64.407
Base-Backbone interact. energy: -0.011
local terms energy: -63.109442
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -5.485
tors. eta vs tors. theta energy: -17.431
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: 367
Temperature: 1.300000
Total energy: -181.650568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.650568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.577596 (E_RNA)
where:
Base-Base interactions energy: -130.186
where: short stacking energy: -60.684
Base-Backbone interact. energy: -0.201
local terms energy: -59.191166
where:
bonds (distance) C4'-P energy: -11.272
bonds (distance) P-C4' energy: -8.863
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -18.195
Dist. restrs. and SS energy: 7.927 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -183.710955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.710955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.816293 (E_RNA)
where:
Base-Base interactions energy: -134.605
where: short stacking energy: -47.114
Base-Backbone interact. energy: -0.138
local terms energy: -49.073424
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -7.291
flat angles C4'-P-C4' energy: -10.436
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -13.160
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: 3
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -231.841912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.841912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.841912 (E_RNA)
where:
Base-Base interactions energy: -166.917
where: short stacking energy: -68.127
Base-Backbone interact. energy: -0.360
local terms energy: -64.564712
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -6.161
tors. eta vs tors. theta energy: -13.839
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -213.130653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.130653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.144891 (E_RNA)
where:
Base-Base interactions energy: -152.150
where: short stacking energy: -67.591
Base-Backbone interact. energy: -0.155
local terms energy: -60.839600
where:
bonds (distance) C4'-P energy: -8.928
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -16.713
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -216.145513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.145513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.207302 (E_RNA)
where:
Base-Base interactions energy: -158.993
where: short stacking energy: -62.198
Base-Backbone interact. energy: -0.166
local terms energy: -57.047594
where:
bonds (distance) C4'-P energy: -10.953
bonds (distance) P-C4' energy: -10.282
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -6.404
tors. eta vs tors. theta energy: -13.917
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -223.931467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.931467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.937409 (E_RNA)
where:
Base-Base interactions energy: -154.586
where: short stacking energy: -67.006
Base-Backbone interact. energy: -0.006
local terms energy: -69.345398
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -20.057
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: 368
Temperature: 1.100000
Total energy: -205.850240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.850240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.898435 (E_RNA)
where:
Base-Base interactions energy: -144.411
where: short stacking energy: -57.333
Base-Backbone interact. energy: -0.519
local terms energy: -60.968905
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -12.281
flat angles C4'-P-C4' energy: -11.159
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: -17.927
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -207.570290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.570290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.720941 (E_RNA)
where:
Base-Base interactions energy: -150.590
where: short stacking energy: -61.066
Base-Backbone interact. energy: 0.508
local terms energy: -57.639188
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -10.698
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -14.045
Dist. restrs. and SS energy: 0.151 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -202.238292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.238292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.334434 (E_RNA)
where:
Base-Base interactions energy: -141.263
where: short stacking energy: -61.343
Base-Backbone interact. energy: -0.000
local terms energy: -61.071278
where:
bonds (distance) C4'-P energy: -10.364
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -16.250
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -202.220716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.220716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.484446 (E_RNA)
where:
Base-Base interactions energy: -140.701
where: short stacking energy: -59.990
Base-Backbone interact. energy: -0.575
local terms energy: -61.208286
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -10.069
flat angles C4'-P-C4' energy: -10.909
flat angles P-C4'-P energy: -8.158
tors. eta vs tors. theta energy: -18.441
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: 4
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -189.258937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.258937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.289136 (E_RNA)
where:
Base-Base interactions energy: -137.250
where: short stacking energy: -52.901
Base-Backbone interact. energy: -0.016
local terms energy: -52.024030
where:
bonds (distance) C4'-P energy: -10.166
bonds (distance) P-C4' energy: -10.359
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -7.393
tors. eta vs tors. theta energy: -11.408
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: 368
Temperature: 1.350000
Total energy: -188.260081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.260081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.302056 (E_RNA)
where:
Base-Base interactions energy: -133.391
where: short stacking energy: -58.657
Base-Backbone interact. energy: -0.411
local terms energy: -62.500174
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -11.053
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -16.102
Dist. restrs. and SS energy: 8.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -223.554881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.554881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.607808 (E_RNA)
where:
Base-Base interactions energy: -155.387
where: short stacking energy: -65.826
Base-Backbone interact. energy: 0.145
local terms energy: -68.366157
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -16.732
Dist. restrs. and SS energy: 0.053 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -221.168282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.168282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.204123 (E_RNA)
where:
Base-Base interactions energy: -156.594
where: short stacking energy: -64.488
Base-Backbone interact. energy: 0.681
local terms energy: -65.290641
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -4.681
tors. eta vs tors. theta energy: -17.398
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -219.216304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.216304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.277911 (E_RNA)
where:
Base-Base interactions energy: -161.196
where: short stacking energy: -65.318
Base-Backbone interact. energy: -0.012
local terms energy: -58.070231
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -8.834
flat angles P-C4'-P energy: -4.088
tors. eta vs tors. theta energy: -17.092
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: 10
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -210.503939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.503939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.597448 (E_RNA)
where:
Base-Base interactions energy: -148.776
where: short stacking energy: -59.608
Base-Backbone interact. energy: -0.000
local terms energy: -61.820702
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -8.297
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -18.331
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -207.278242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.278242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.536736 (E_RNA)
where:
Base-Base interactions energy: -140.584
where: short stacking energy: -55.102
Base-Backbone interact. energy: -0.054
local terms energy: -66.898029
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -16.558
Dist. restrs. and SS energy: 0.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -201.726318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.726318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.726318 (E_RNA)
where:
Base-Base interactions energy: -136.806
where: short stacking energy: -55.070
Base-Backbone interact. energy: -0.207
local terms energy: -64.713437
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -17.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -200.459320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.459320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.562673 (E_RNA)
where:
Base-Base interactions energy: -142.670
where: short stacking energy: -58.200
Base-Backbone interact. energy: -0.077
local terms energy: -57.815888
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -11.368
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -12.528
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: 9
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -197.002877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.002877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.014581 (E_RNA)
where:
Base-Base interactions energy: -135.064
where: short stacking energy: -52.054
Base-Backbone interact. energy: -0.357
local terms energy: -61.594112
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -5.173
tors. eta vs tors. theta energy: -16.033
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: 369
Temperature: 1.300000
Total energy: -196.274220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.274220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.811895 (E_RNA)
where:
Base-Base interactions energy: -136.830
where: short stacking energy: -57.883
Base-Backbone interact. energy: -0.035
local terms energy: -59.946890
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -9.466
flat angles C4'-P-C4' energy: -13.371
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -12.285
Dist. restrs. and SS energy: 0.538 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -170.660283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.660283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.655364 (E_RNA)
where:
Base-Base interactions energy: -125.070
where: short stacking energy: -55.711
Base-Backbone interact. energy: -0.030
local terms energy: -53.555758
where:
bonds (distance) C4'-P energy: -8.540
bonds (distance) P-C4' energy: -8.773
flat angles C4'-P-C4' energy: -13.258
flat angles P-C4'-P energy: -6.624
tors. eta vs tors. theta energy: -16.362
Dist. restrs. and SS energy: 7.995 (S_DIST_RNA)
chem. 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: -232.011288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.011288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.067746 (E_RNA)
where:
Base-Base interactions energy: -171.919
where: short stacking energy: -69.880
Base-Backbone interact. energy: 0.120
local terms energy: -60.268889
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -10.397
flat angles P-C4'-P energy: -4.409
tors. eta vs tors. theta energy: -15.779
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: 370
Temperature: 0.950000
Total energy: -218.523748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.523748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.595048 (E_RNA)
where:
Base-Base interactions energy: -148.487
where: short stacking energy: -61.986
Base-Backbone interact. energy: -0.006
local terms energy: -70.102720
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -12.170
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -18.196
Dist. restrs. and SS energy: 0.071 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -217.616474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.616474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.702888 (E_RNA)
where:
Base-Base interactions energy: -154.213
where: short stacking energy: -61.648
Base-Backbone interact. energy: -0.593
local terms energy: -62.897300
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -10.994
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: -14.334
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: 1
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -220.554294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.554294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.668390 (E_RNA)
where:
Base-Base interactions energy: -159.840
where: short stacking energy: -66.568
Base-Backbone interact. energy: -0.000
local terms energy: -60.827870
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -11.314
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -15.536
Dist. restrs. and SS energy: 0.114 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -204.882717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.882717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.053314 (E_RNA)
where:
Base-Base interactions energy: -146.029
where: short stacking energy: -59.884
Base-Backbone interact. energy: -0.000
local terms energy: -59.024304
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -3.204
tors. eta vs tors. theta energy: -15.939
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: 6, replica: 7
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -203.328505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.328505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.329476 (E_RNA)
where:
Base-Base interactions energy: -143.064
where: short stacking energy: -55.220
Base-Backbone interact. energy: -0.016
local terms energy: -60.249710
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -11.490
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -11.864
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -200.592544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.592544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.772333 (E_RNA)
where:
Base-Base interactions energy: -137.949
where: short stacking energy: -50.860
Base-Backbone interact. energy: -0.632
local terms energy: -62.191027
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -10.592
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -17.903
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: 8
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -216.388672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.388672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.828496 (E_RNA)
where:
Base-Base interactions energy: -154.030
where: short stacking energy: -66.585
Base-Backbone interact. energy: -0.004
local terms energy: -62.794592
where:
bonds (distance) C4'-P energy: -11.536
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -6.308
tors. eta vs tors. theta energy: -17.555
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: 9, replica: 4
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -190.923442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.923442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.939084 (E_RNA)
where:
Base-Base interactions energy: -139.338
where: short stacking energy: -54.871
Base-Backbone interact. energy: 1.762
local terms energy: -53.362818
where:
bonds (distance) C4'-P energy: -8.075
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -6.919
tors. eta vs tors. theta energy: -13.071
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -180.351857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.351857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.783618 (E_RNA)
where:
Base-Base interactions energy: -129.477
where: short stacking energy: -54.985
Base-Backbone interact. energy: -0.024
local terms energy: -58.282520
where:
bonds (distance) C4'-P energy: -9.655
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -8.020
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -16.781
Dist. restrs. and SS energy: 7.432 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -230.891236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.891236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.900579 (E_RNA)
where:
Base-Base interactions energy: -172.086
where: short stacking energy: -67.928
Base-Backbone interact. energy: -0.328
local terms energy: -58.485882
where:
bonds (distance) C4'-P energy: -11.545
bonds (distance) P-C4' energy: -11.790
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -7.026
tors. eta vs tors. theta energy: -16.033
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -218.459642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.459642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.522259 (E_RNA)
where:
Base-Base interactions energy: -153.004
where: short stacking energy: -64.272
Base-Backbone interact. energy: -0.088
local terms energy: -65.430738
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -13.517
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -17.104
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: 3
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -214.312688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.312688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.332314 (E_RNA)
where:
Base-Base interactions energy: -151.656
where: short stacking energy: -67.115
Base-Backbone interact. energy: -0.055
local terms energy: -62.621653
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -6.306
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -19.368
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: 371
Temperature: 1.050000
Total energy: -205.556212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.556212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.610372 (E_RNA)
where:
Base-Base interactions energy: -147.840
where: short stacking energy: -62.118
Base-Backbone interact. energy: 1.553
local terms energy: -59.323223
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -12.964
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: -14.328
Dist. restrs. and SS energy: 0.054 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -203.207975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.207975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.467777 (E_RNA)
where:
Base-Base interactions energy: -145.786
where: short stacking energy: -59.011
Base-Backbone interact. energy: -0.239
local terms energy: -57.443005
where:
bonds (distance) C4'-P energy: -11.022
bonds (distance) P-C4' energy: -12.106
flat angles C4'-P-C4' energy: -9.135
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: -16.682
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: 9
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -209.353256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.353256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.360526 (E_RNA)
where:
Base-Base interactions energy: -155.126
where: short stacking energy: -57.447
Base-Backbone interact. energy: -0.036
local terms energy: -54.197740
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -10.404
flat angles C4'-P-C4' energy: -11.460
flat angles P-C4'-P energy: -6.344
tors. eta vs tors. theta energy: -12.294
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: 7
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -205.286615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.286615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.331397 (E_RNA)
where:
Base-Base interactions energy: -150.547
where: short stacking energy: -64.973
Base-Backbone interact. energy: -0.030
local terms energy: -54.754763
where:
bonds (distance) C4'-P energy: -8.843
bonds (distance) P-C4' energy: -10.371
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -6.722
tors. eta vs tors. theta energy: -16.679
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -198.892126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.892126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.922149 (E_RNA)
where:
Base-Base interactions energy: -137.236
where: short stacking energy: -49.766
Base-Backbone interact. energy: -0.026
local terms energy: -61.660126
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -13.167
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -14.396
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: 371
Temperature: 1.300000
Total energy: -199.570590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.570590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.620624 (E_RNA)
where:
Base-Base interactions energy: -145.508
where: short stacking energy: -55.835
Base-Backbone interact. energy: 1.195
local terms energy: -55.307151
where:
bonds (distance) C4'-P energy: -9.042
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -11.755
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -174.023709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.023709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.599414 (E_RNA)
where:
Base-Base interactions energy: -125.711
where: short stacking energy: -53.552
Base-Backbone interact. energy: 0.176
local terms energy: -55.064780
where:
bonds (distance) C4'-P energy: -7.627
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -8.034
tors. eta vs tors. theta energy: -11.738
Dist. restrs. and SS energy: 6.576 (S_DIST_RNA)
chem. 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: -234.966139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.966139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.003988 (E_RNA)
where:
Base-Base interactions energy: -170.769
where: short stacking energy: -65.978
Base-Backbone interact. energy: 0.401
local terms energy: -64.635899
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -4.326
tors. eta vs tors. theta energy: -17.488
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -216.368698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.368698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.378529 (E_RNA)
where:
Base-Base interactions energy: -146.930
where: short stacking energy: -60.690
Base-Backbone interact. energy: -0.009
local terms energy: -69.439380
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -16.460
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -211.117958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.117958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.298376 (E_RNA)
where:
Base-Base interactions energy: -142.748
where: short stacking energy: -59.301
Base-Backbone interact. energy: 1.131
local terms energy: -69.681644
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -15.207
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: 4, replica: 3
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -211.318782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.318782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.362590 (E_RNA)
where:
Base-Base interactions energy: -146.103
where: short stacking energy: -60.381
Base-Backbone interact. energy: -0.280
local terms energy: -64.978985
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -16.558
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: 372
Temperature: 1.100000
Total energy: -209.769871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.769871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.769871 (E_RNA)
where:
Base-Base interactions energy: -156.406
where: short stacking energy: -57.793
Base-Backbone interact. energy: -0.019
local terms energy: -53.344774
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -10.618
flat angles C4'-P-C4' energy: -9.721
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -12.558
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -209.795246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.795246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.935802 (E_RNA)
where:
Base-Base interactions energy: -153.029
where: short stacking energy: -60.111
Base-Backbone interact. energy: -0.134
local terms energy: -56.772632
where:
bonds (distance) C4'-P energy: -9.836
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -10.100
flat angles P-C4'-P energy: -8.102
tors. eta vs tors. theta energy: -15.935
Dist. restrs. and SS energy: 0.141 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -202.456274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.456274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.498318 (E_RNA)
where:
Base-Base interactions energy: -140.090
where: short stacking energy: -52.212
Base-Backbone interact. energy: -0.059
local terms energy: -62.349476
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -13.745
flat angles C4'-P-C4' energy: -14.741
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: -12.739
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: 372
Temperature: 1.250000
Total energy: -196.528313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.528313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.645589 (E_RNA)
where:
Base-Base interactions energy: -135.280
where: short stacking energy: -51.318
Base-Backbone interact. energy: -0.068
local terms energy: -61.298055
where:
bonds (distance) C4'-P energy: -11.707
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -9.274
tors. eta vs tors. theta energy: -14.704
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -197.243760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.243760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.259525 (E_RNA)
where:
Base-Base interactions energy: -139.268
where: short stacking energy: -54.181
Base-Backbone interact. energy: 0.308
local terms energy: -58.299698
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -12.444
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -13.272
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -180.830619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.830619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.688566 (E_RNA)
where:
Base-Base interactions energy: -128.718
where: short stacking energy: -48.042
Base-Backbone interact. energy: -0.046
local terms energy: -58.924089
where:
bonds (distance) C4'-P energy: -11.283
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -8.036
flat angles P-C4'-P energy: -11.567
tors. eta vs tors. theta energy: -13.413
Dist. restrs. and SS energy: 6.858 (S_DIST_RNA)
chem. 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: -231.426762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.426762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.426762 (E_RNA)
where:
Base-Base interactions energy: -170.372
where: short stacking energy: -69.451
Base-Backbone interact. energy: -0.295
local terms energy: -60.760018
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -11.468
flat angles P-C4'-P energy: -4.541
tors. eta vs tors. theta energy: -16.233
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -219.501965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.501965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.501965 (E_RNA)
where:
Base-Base interactions energy: -153.884
where: short stacking energy: -66.117
Base-Backbone interact. energy: -0.037
local terms energy: -65.581394
where:
bonds (distance) C4'-P energy: -10.636
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -12.154
tors. eta vs tors. theta energy: -14.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -218.791047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.791047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.813357 (E_RNA)
where:
Base-Base interactions energy: -150.440
where: short stacking energy: -62.701
Base-Backbone interact. energy: -0.042
local terms energy: -68.331934
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -16.368
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -209.692199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.692199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.789942 (E_RNA)
where:
Base-Base interactions energy: -148.543
where: short stacking energy: -54.033
Base-Backbone interact. energy: -0.045
local terms energy: -61.201095
where:
bonds (distance) C4'-P energy: -10.732
bonds (distance) P-C4' energy: -14.858
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -14.306
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -201.535037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.535037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.643605 (E_RNA)
where:
Base-Base interactions energy: -138.982
where: short stacking energy: -53.928
Base-Backbone interact. energy: 1.042
local terms energy: -63.702853
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -9.273
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -15.809
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -204.988067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.988067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.060515 (E_RNA)
where:
Base-Base interactions energy: -145.981
where: short stacking energy: -65.448
Base-Backbone interact. energy: -0.156
local terms energy: -58.922852
where:
bonds (distance) C4'-P energy: -7.858
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -8.403
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -16.020
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: 8
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -201.417917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.417917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.684762 (E_RNA)
where:
Base-Base interactions energy: -138.330
where: short stacking energy: -56.394
Base-Backbone interact. energy: -0.044
local terms energy: -63.310718
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -13.776
Dist. restrs. and SS energy: 0.267 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -203.873399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.873399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.939798 (E_RNA)
where:
Base-Base interactions energy: -143.398
where: short stacking energy: -56.982
Base-Backbone interact. energy: -0.006
local terms energy: -60.536367
where:
bonds (distance) C4'-P energy: -10.909
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -13.639
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: 7
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -195.888422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.888422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.996380 (E_RNA)
where:
Base-Base interactions energy: -138.465
where: short stacking energy: -53.320
Base-Backbone interact. energy: -0.174
local terms energy: -57.358177
where:
bonds (distance) C4'-P energy: -10.339
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -9.386
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -13.246
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: 5
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -177.024369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.024369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.720290 (E_RNA)
where:
Base-Base interactions energy: -120.512
where: short stacking energy: -54.676
Base-Backbone interact. energy: -0.187
local terms energy: -64.021377
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -12.866
Dist. restrs. and SS energy: 7.696 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -226.837054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.837054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.881665 (E_RNA)
where:
Base-Base interactions energy: -162.352
where: short stacking energy: -65.277
Base-Backbone interact. energy: -0.008
local terms energy: -64.521690
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -12.976
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -16.558
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: 2
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -231.101036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.101036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.265057 (E_RNA)
where:
Base-Base interactions energy: -172.395
where: short stacking energy: -67.907
Base-Backbone interact. energy: 0.038
local terms energy: -58.908746
where:
bonds (distance) C4'-P energy: -12.478
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -11.005
flat angles P-C4'-P energy: -3.317
tors. eta vs tors. theta energy: -17.422
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: 9
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -223.578534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.578534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.666011 (E_RNA)
where:
Base-Base interactions energy: -155.267
where: short stacking energy: -59.930
Base-Backbone interact. energy: -0.022
local terms energy: -68.377269
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -11.763
flat angles C4'-P-C4' energy: -15.594
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -19.332
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: 374
Temperature: 1.050000
Total energy: -224.397889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.397889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.458504 (E_RNA)
where:
Base-Base interactions energy: -160.629
where: short stacking energy: -59.277
Base-Backbone interact. energy: -0.228
local terms energy: -63.600665
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -13.295
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -6.330
tors. eta vs tors. theta energy: -13.940
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: 3
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -221.365848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.365848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.513336 (E_RNA)
where:
Base-Base interactions energy: -158.804
where: short stacking energy: -66.001
Base-Backbone interact. energy: -0.069
local terms energy: -62.640195
where:
bonds (distance) C4'-P energy: -7.851
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -12.451
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -15.923
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -197.938957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.938957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.974468 (E_RNA)
where:
Base-Base interactions energy: -137.602
where: short stacking energy: -52.972
Base-Backbone interact. energy: -0.002
local terms energy: -60.370795
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -12.050
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -15.133
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -208.646947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.646947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.646947 (E_RNA)
where:
Base-Base interactions energy: -154.557
where: short stacking energy: -58.560
Base-Backbone interact. energy: -0.121
local terms energy: -53.968815
where:
bonds (distance) C4'-P energy: -10.860
bonds (distance) P-C4' energy: -9.978
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -1.427
tors. eta vs tors. theta energy: -18.436
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: 8, replica: 8
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -204.210499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.210499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.282685 (E_RNA)
where:
Base-Base interactions energy: -142.916
where: short stacking energy: -59.870
Base-Backbone interact. energy: -0.391
local terms energy: -60.975151
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -12.196
flat angles C4'-P-C4' energy: -13.327
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -13.165
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: 7
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -198.104000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.104000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.156799 (E_RNA)
where:
Base-Base interactions energy: -138.075
where: short stacking energy: -53.827
Base-Backbone interact. energy: 0.958
local terms energy: -61.040521
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: -16.170
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: 5
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -177.536810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.536810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.895200 (E_RNA)
where:
Base-Base interactions energy: -129.760
where: short stacking energy: -52.471
Base-Backbone interact. energy: -0.007
local terms energy: -55.127958
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -9.502
flat angles C4'-P-C4' energy: -11.230
flat angles P-C4'-P energy: -6.631
tors. eta vs tors. theta energy: -15.012
Dist. restrs. and SS energy: 7.358 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -233.596717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.596717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.604146 (E_RNA)
where:
Base-Base interactions energy: -168.713
where: short stacking energy: -64.180
Base-Backbone interact. energy: -0.062
local terms energy: -64.829745
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -5.576
tors. eta vs tors. theta energy: -16.842
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -217.823925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.823925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.832438 (E_RNA)
where:
Base-Base interactions energy: -151.332
where: short stacking energy: -65.666
Base-Backbone interact. energy: -0.123
local terms energy: -66.377887
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -13.066
flat angles C4'-P-C4' energy: -10.116
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -19.187
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: 375
Temperature: 1.000000
Total energy: -225.722943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.722943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.768011 (E_RNA)
where:
Base-Base interactions energy: -163.849
where: short stacking energy: -64.264
Base-Backbone interact. energy: -0.386
local terms energy: -61.533690
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -10.289
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -5.381
tors. eta vs tors. theta energy: -19.947
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -227.161794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.161794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.188286 (E_RNA)
where:
Base-Base interactions energy: -170.523
where: short stacking energy: -67.277
Base-Backbone interact. energy: -0.069
local terms energy: -56.596575
where:
bonds (distance) C4'-P energy: -5.297
bonds (distance) P-C4' energy: -12.048
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -16.311
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: 375
Temperature: 1.100000
Total energy: -210.077492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.077492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.181492 (E_RNA)
where:
Base-Base interactions energy: -145.199
where: short stacking energy: -60.461
Base-Backbone interact. energy: -0.105
local terms energy: -64.878077
where:
bonds (distance) C4'-P energy: -12.802
bonds (distance) P-C4' energy: -12.338
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -8.496
tors. eta vs tors. theta energy: -16.143
Dist. restrs. and SS energy: 0.104 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -204.483331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.483331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.516245 (E_RNA)
where:
Base-Base interactions energy: -142.404
where: short stacking energy: -57.354
Base-Backbone interact. energy: -0.319
local terms energy: -61.792879
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -14.019
flat angles C4'-P-C4' energy: -10.195
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -14.405
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -204.647147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.647147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.793246 (E_RNA)
where:
Base-Base interactions energy: -142.719
where: short stacking energy: -63.268
Base-Backbone interact. energy: -0.000
local terms energy: -62.073771
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -10.598
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -17.391
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: 8
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -195.966125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.966125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.035726 (E_RNA)
where:
Base-Base interactions energy: -132.898
where: short stacking energy: -54.392
Base-Backbone interact. energy: -0.073
local terms energy: -63.064652
where:
bonds (distance) C4'-P energy: -9.475
bonds (distance) P-C4' energy: -11.587
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -18.027
Dist. restrs. and SS energy: 0.070 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -201.830748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.830748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.321420 (E_RNA)
where:
Base-Base interactions energy: -141.065
where: short stacking energy: -56.991
Base-Backbone interact. energy: -0.607
local terms energy: -60.648508
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -7.663
tors. eta vs tors. theta energy: -14.755
Dist. restrs. and SS energy: 0.491 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -172.372899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.372899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.607134 (E_RNA)
where:
Base-Base interactions energy: -123.229
where: short stacking energy: -52.346
Base-Backbone interact. energy: 0.073
local terms energy: -56.451322
where:
bonds (distance) C4'-P energy: -9.679
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -7.310
tors. eta vs tors. theta energy: -14.034
Dist. restrs. and SS energy: 7.234 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -227.457693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.457693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.548233 (E_RNA)
where:
Base-Base interactions energy: -167.001
where: short stacking energy: -62.364
Base-Backbone interact. energy: -0.147
local terms energy: -60.400469
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -6.721
tors. eta vs tors. theta energy: -15.161
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -214.803418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.803418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.843573 (E_RNA)
where:
Base-Base interactions energy: -144.833
where: short stacking energy: -60.711
Base-Backbone interact. energy: -0.157
local terms energy: -69.854078
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -17.693
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -232.912924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.912924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.912924 (E_RNA)
where:
Base-Base interactions energy: -166.722
where: short stacking energy: -70.206
Base-Backbone interact. energy: -0.490
local terms energy: -65.701014
where:
bonds (distance) C4'-P energy: -10.729
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -17.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -213.331880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.331880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.331880 (E_RNA)
where:
Base-Base interactions energy: -150.803
where: short stacking energy: -66.444
Base-Backbone interact. energy: -0.286
local terms energy: -62.243437
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -11.492
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -15.551
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -207.397667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.397667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.473014 (E_RNA)
where:
Base-Base interactions energy: -143.737
where: short stacking energy: -57.716
Base-Backbone interact. energy: -0.238
local terms energy: -63.497518
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -11.499
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -16.056
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: 3
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -210.008681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.008681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.015436 (E_RNA)
where:
Base-Base interactions energy: -152.781
where: short stacking energy: -59.128
Base-Backbone interact. energy: -0.014
local terms energy: -57.220026
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -9.862
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -1.909
tors. eta vs tors. theta energy: -18.067
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: 8
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -205.074166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.074166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.152050 (E_RNA)
where:
Base-Base interactions energy: -149.818
where: short stacking energy: -60.238
Base-Backbone interact. energy: -0.321
local terms energy: -55.012313
where:
bonds (distance) C4'-P energy: -11.424
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -9.218
flat angles P-C4'-P energy: -3.360
tors. eta vs tors. theta energy: -15.885
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: 1
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -197.517734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.517734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.677261 (E_RNA)
where:
Base-Base interactions energy: -141.056
where: short stacking energy: -56.305
Base-Backbone interact. energy: -0.107
local terms energy: -56.514981
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -8.609
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -8.545
tors. eta vs tors. theta energy: -10.756
Dist. restrs. and SS energy: 0.160 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -199.339569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.339569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.630676 (E_RNA)
where:
Base-Base interactions energy: -136.292
where: short stacking energy: -55.570
Base-Backbone interact. energy: -0.107
local terms energy: -63.232059
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -10.625
flat angles C4'-P-C4' energy: -13.724
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -14.619
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: 10, replica: 5
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -170.040784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.040784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.154828 (E_RNA)
where:
Base-Base interactions energy: -124.738
where: short stacking energy: -53.651
Base-Backbone interact. energy: -0.034
local terms energy: -53.382316
where:
bonds (distance) C4'-P energy: -9.852
bonds (distance) P-C4' energy: -9.223
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -11.429
Dist. restrs. and SS energy: 8.114 (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: 6
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -223.272399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.272399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.291704 (E_RNA)
where:
Base-Base interactions energy: -152.919
where: short stacking energy: -65.636
Base-Backbone interact. energy: -0.000
local terms energy: -70.372477
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -10.214
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -18.216
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: 10
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -232.324195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.324195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.449593 (E_RNA)
where:
Base-Base interactions energy: -166.990
where: short stacking energy: -62.257
Base-Backbone interact. energy: -0.158
local terms energy: -65.301417
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -6.433
tors. eta vs tors. theta energy: -17.303
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -213.856380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.856380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.898885 (E_RNA)
where:
Base-Base interactions energy: -144.715
where: short stacking energy: -57.857
Base-Backbone interact. energy: -0.003
local terms energy: -69.181135
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -16.698
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: 4
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -205.767257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.767257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.902485 (E_RNA)
where:
Base-Base interactions energy: -142.412
where: short stacking energy: -56.939
Base-Backbone interact. energy: -0.160
local terms energy: -63.330664
where:
bonds (distance) C4'-P energy: -11.163
bonds (distance) P-C4' energy: -11.634
flat angles C4'-P-C4' energy: -12.996
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -18.197
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: 2
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -206.881824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.881824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.951260 (E_RNA)
where:
Base-Base interactions energy: -148.384
where: short stacking energy: -62.318
Base-Backbone interact. energy: -0.005
local terms energy: -58.562872
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -11.511
flat angles C4'-P-C4' energy: -11.170
flat angles P-C4'-P energy: -10.055
tors. eta vs tors. theta energy: -15.120
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -204.685810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.685810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.951914 (E_RNA)
where:
Base-Base interactions energy: -137.072
where: short stacking energy: -55.917
Base-Backbone interact. energy: 0.050
local terms energy: -67.929562
where:
bonds (distance) C4'-P energy: -11.058
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -18.162
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: 7, replica: 3
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -201.959079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.959079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.032538 (E_RNA)
where:
Base-Base interactions energy: -141.196
where: short stacking energy: -52.361
Base-Backbone interact. energy: -0.059
local terms energy: -60.777099
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -10.481
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -14.799
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: 377
Temperature: 1.250000
Total energy: -200.045377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.045377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.054636 (E_RNA)
where:
Base-Base interactions energy: -141.347
where: short stacking energy: -57.621
Base-Backbone interact. energy: -0.096
local terms energy: -58.611170
where:
bonds (distance) C4'-P energy: -11.523
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -10.971
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -13.787
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -197.377439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.377439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.407302 (E_RNA)
where:
Base-Base interactions energy: -142.051
where: short stacking energy: -57.327
Base-Backbone interact. energy: -0.001
local terms energy: -55.355284
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -7.143
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -15.170
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: 377
Temperature: 1.350000
Total energy: -165.233901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.233901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.262215 (E_RNA)
where:
Base-Base interactions energy: -118.634
where: short stacking energy: -48.817
Base-Backbone interact. energy: -0.000
local terms energy: -52.627745
where:
bonds (distance) C4'-P energy: -9.171
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -10.777
flat angles P-C4'-P energy: -5.608
tors. eta vs tors. theta energy: -12.994
Dist. restrs. and SS energy: 6.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -220.578777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.578777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.607133 (E_RNA)
where:
Base-Base interactions energy: -155.585
where: short stacking energy: -61.557
Base-Backbone interact. energy: -0.270
local terms energy: -64.752563
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -13.401
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -14.751
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -229.086941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.086941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.233059 (E_RNA)
where:
Base-Base interactions energy: -162.478
where: short stacking energy: -62.164
Base-Backbone interact. energy: -0.007
local terms energy: -66.748142
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -5.598
tors. eta vs tors. theta energy: -16.113
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: 4
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -213.924085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.924085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.929922 (E_RNA)
where:
Base-Base interactions energy: -147.947
where: short stacking energy: -62.414
Base-Backbone interact. energy: -0.003
local terms energy: -65.979627
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -12.517
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -18.661
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: 9
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -218.854076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.854076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.871255 (E_RNA)
where:
Base-Base interactions energy: -145.472
where: short stacking energy: -61.087
Base-Backbone interact. energy: -0.240
local terms energy: -73.159216
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -19.549
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: 378
Temperature: 1.100000
Total energy: -213.798614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.798614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.807977 (E_RNA)
where:
Base-Base interactions energy: -158.281
where: short stacking energy: -65.948
Base-Backbone interact. energy: -0.002
local terms energy: -55.525695
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -10.062
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -7.403
tors. eta vs tors. theta energy: -13.196
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -209.791973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.791973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.819731 (E_RNA)
where:
Base-Base interactions energy: -148.626
where: short stacking energy: -55.164
Base-Backbone interact. energy: -0.368
local terms energy: -60.825145
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -10.161
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -14.183
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: 7
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -197.037296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.037296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.269288 (E_RNA)
where:
Base-Base interactions energy: -141.747
where: short stacking energy: -50.825
Base-Backbone interact. energy: -0.259
local terms energy: -55.263369
where:
bonds (distance) C4'-P energy: -11.312
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -9.938
flat angles P-C4'-P energy: -7.023
tors. eta vs tors. theta energy: -14.673
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: 8, replica: 3
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -195.466706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.466706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.598185 (E_RNA)
where:
Base-Base interactions energy: -138.222
where: short stacking energy: -53.749
Base-Backbone interact. energy: 0.105
local terms energy: -57.480895
where:
bonds (distance) C4'-P energy: -12.573
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -10.816
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -11.595
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: 5
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -170.153479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.153479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.657119 (E_RNA)
where:
Base-Base interactions energy: -128.756
where: short stacking energy: -54.116
Base-Backbone interact. energy: 0.669
local terms energy: -49.570292
where:
bonds (distance) C4'-P energy: -8.182
bonds (distance) P-C4' energy: -7.088
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -12.535
Dist. restrs. and SS energy: 7.504 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -193.718112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.718112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.925390 (E_RNA)
where:
Base-Base interactions energy: -142.459
where: short stacking energy: -59.829
Base-Backbone interact. energy: -0.085
local terms energy: -51.381481
where:
bonds (distance) C4'-P energy: -8.000
bonds (distance) P-C4' energy: -9.722
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -5.588
tors. eta vs tors. theta energy: -14.791
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: 6
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -220.192478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.192478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.212006 (E_RNA)
where:
Base-Base interactions energy: -156.102
where: short stacking energy: -62.166
Base-Backbone interact. energy: 0.576
local terms energy: -64.685694
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -16.271
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: 379
Temperature: 0.950000
Total energy: -233.004305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.004305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.221339 (E_RNA)
where:
Base-Base interactions energy: -169.563
where: short stacking energy: -71.418
Base-Backbone interact. energy: -0.016
local terms energy: -63.642408
where:
bonds (distance) C4'-P energy: -11.888
bonds (distance) P-C4' energy: -10.002
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -15.137
Dist. restrs. and SS energy: 0.217 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -213.342324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.342324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.342324 (E_RNA)
where:
Base-Base interactions energy: -147.858
where: short stacking energy: -60.209
Base-Backbone interact. energy: -0.035
local terms energy: -65.449734
where:
bonds (distance) C4'-P energy: -13.879
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -11.475
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -15.469
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -210.599979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.599979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.599979 (E_RNA)
where:
Base-Base interactions energy: -145.324
where: short stacking energy: -55.215
Base-Backbone interact. energy: -0.122
local terms energy: -65.153618
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -9.985
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -14.753
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -206.085250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.085250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.114285 (E_RNA)
where:
Base-Base interactions energy: -143.097
where: short stacking energy: -59.330
Base-Backbone interact. energy: -0.126
local terms energy: -62.891847
where:
bonds (distance) C4'-P energy: -13.403
bonds (distance) P-C4' energy: -7.886
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -17.466
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: 379
Temperature: 1.150000
Total energy: -212.129752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.129752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.162745 (E_RNA)
where:
Base-Base interactions energy: -147.883
where: short stacking energy: -61.021
Base-Backbone interact. energy: -0.046
local terms energy: -64.234363
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -18.319
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: 2
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -209.556573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.556573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.579492 (E_RNA)
where:
Base-Base interactions energy: -154.096
where: short stacking energy: -57.818
Base-Backbone interact. energy: -0.011
local terms energy: -55.472218
where:
bonds (distance) C4'-P energy: -6.751
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -1.925
tors. eta vs tors. theta energy: -16.634
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: 379
Temperature: 1.250000
Total energy: -191.919110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.919110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.469386 (E_RNA)
where:
Base-Base interactions energy: -141.674
where: short stacking energy: -53.096
Base-Backbone interact. energy: -0.157
local terms energy: -56.638461
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -9.930
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -5.813
tors. eta vs tors. theta energy: -15.790
Dist. restrs. and SS energy: 6.550 (S_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: 379
Temperature: 1.300000
Total energy: -192.137116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.137116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.161250 (E_RNA)
where:
Base-Base interactions energy: -136.287
where: short stacking energy: -44.132
Base-Backbone interact. energy: -0.170
local terms energy: -55.704323
where:
bonds (distance) C4'-P energy: -10.087
bonds (distance) P-C4' energy: -11.765
flat angles C4'-P-C4' energy: -11.518
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -13.764
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -184.908290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.908290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.955097 (E_RNA)
where:
Base-Base interactions energy: -129.271
where: short stacking energy: -53.225
Base-Backbone interact. energy: -0.038
local terms energy: -55.645489
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -11.293
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -225.187838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.187838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.237211 (E_RNA)
where:
Base-Base interactions energy: -160.574
where: short stacking energy: -63.145
Base-Backbone interact. energy: -0.184
local terms energy: -64.479841
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -7.941
tors. eta vs tors. theta energy: -14.175
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: 6
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -215.925888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.925888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.025348 (E_RNA)
where:
Base-Base interactions energy: -151.368
where: short stacking energy: -67.568
Base-Backbone interact. energy: -0.314
local terms energy: -64.342954
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -6.835
tors. eta vs tors. theta energy: -20.537
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -209.209096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.209096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.283946 (E_RNA)
where:
Base-Base interactions energy: -150.431
where: short stacking energy: -63.487
Base-Backbone interact. energy: -0.113
local terms energy: -58.740380
where:
bonds (distance) C4'-P energy: -9.080
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -13.949
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -223.295932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.295932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.310604 (E_RNA)
where:
Base-Base interactions energy: -163.204
where: short stacking energy: -62.065
Base-Backbone interact. energy: 0.014
local terms energy: -60.120720
where:
bonds (distance) C4'-P energy: -14.417
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -3.750
tors. eta vs tors. theta energy: -16.256
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -202.757961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.757961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.757961 (E_RNA)
where:
Base-Base interactions energy: -144.356
where: short stacking energy: -59.880
Base-Backbone interact. energy: 0.218
local terms energy: -58.620531
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -11.863
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -13.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -211.823536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.823536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.874733 (E_RNA)
where:
Base-Base interactions energy: -143.532
where: short stacking energy: -59.361
Base-Backbone interact. energy: 1.092
local terms energy: -69.434984
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -17.357
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -197.871838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.871838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.160646 (E_RNA)
where:
Base-Base interactions energy: -144.020
where: short stacking energy: -59.811
Base-Backbone interact. energy: -0.124
local terms energy: -61.016287
where:
bonds (distance) C4'-P energy: -9.946
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -18.098
Dist. restrs. and SS energy: 7.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -200.961553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.961553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.972784 (E_RNA)
where:
Base-Base interactions energy: -141.693
where: short stacking energy: -60.194
Base-Backbone interact. energy: -0.014
local terms energy: -59.265943
where:
bonds (distance) C4'-P energy: -9.935
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -11.704
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -13.536
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -187.585012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.585012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.720539 (E_RNA)
where:
Base-Base interactions energy: -128.509
where: short stacking energy: -52.519
Base-Backbone interact. energy: -0.065
local terms energy: -59.146356
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -10.624
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -11.466
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: 3
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -201.455164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.455164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.553565 (E_RNA)
where:
Base-Base interactions energy: -140.860
where: short stacking energy: -52.249
Base-Backbone interact. energy: -0.089
local terms energy: -60.604718
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -8.433
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -16.180
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: 10
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -225.900388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.900388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.925410 (E_RNA)
where:
Base-Base interactions energy: -162.331
where: short stacking energy: -64.373
Base-Backbone interact. energy: -0.156
local terms energy: -63.438320
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -10.194
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -17.780
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -216.114526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.114526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.123060 (E_RNA)
where:
Base-Base interactions energy: -149.426
where: short stacking energy: -64.214
Base-Backbone interact. energy: -0.086
local terms energy: -66.611299
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -14.489
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -213.421931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.421931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.434178 (E_RNA)
where:
Base-Base interactions energy: -153.646
where: short stacking energy: -60.429
Base-Backbone interact. energy: -0.120
local terms energy: -59.668322
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -12.740
flat angles P-C4'-P energy: -5.313
tors. eta vs tors. theta energy: -16.677
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -226.121144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.121144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.301055 (E_RNA)
where:
Base-Base interactions energy: -165.780
where: short stacking energy: -64.944
Base-Backbone interact. energy: -0.231
local terms energy: -60.289866
where:
bonds (distance) C4'-P energy: -12.399
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -11.037
flat angles P-C4'-P energy: -5.468
tors. eta vs tors. theta energy: -17.670
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: 8
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -204.105736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.105736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.222366 (E_RNA)
where:
Base-Base interactions energy: -142.704
where: short stacking energy: -58.146
Base-Backbone interact. energy: -0.086
local terms energy: -61.432241
where:
bonds (distance) C4'-P energy: -10.327
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -15.698
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: 7
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -203.474659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.474659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.628049 (E_RNA)
where:
Base-Base interactions energy: -141.378
where: short stacking energy: -60.307
Base-Backbone interact. energy: -0.019
local terms energy: -62.231079
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -10.504
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -11.278
Dist. restrs. and SS energy: 0.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -188.321158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.321158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.790226 (E_RNA)
where:
Base-Base interactions energy: -136.992
where: short stacking energy: -57.782
Base-Backbone interact. energy: -0.008
local terms energy: -59.790038
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -8.349
tors. eta vs tors. theta energy: -15.035
Dist. restrs. and SS energy: 8.469 (S_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: 381
Temperature: 1.250000
Total energy: -203.359795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.359795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.369862 (E_RNA)
where:
Base-Base interactions energy: -150.414
where: short stacking energy: -57.409
Base-Backbone interact. energy: -0.280
local terms energy: -52.675349
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -10.072
flat angles C4'-P-C4' energy: -9.592
flat angles P-C4'-P energy: -5.055
tors. eta vs tors. theta energy: -13.184
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -198.565129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.565129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.625387 (E_RNA)
where:
Base-Base interactions energy: -143.424
where: short stacking energy: -56.128
Base-Backbone interact. energy: -0.190
local terms energy: -55.011354
where:
bonds (distance) C4'-P energy: -5.281
bonds (distance) P-C4' energy: -13.076
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -15.218
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: 3
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -199.618762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.618762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.863661 (E_RNA)
where:
Base-Base interactions energy: -137.335
where: short stacking energy: -53.647
Base-Backbone interact. energy: 0.517
local terms energy: -63.045290
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -11.797
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: 1, replica: 10
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -233.217194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.217194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.243648 (E_RNA)
where:
Base-Base interactions energy: -165.474
where: short stacking energy: -71.167
Base-Backbone interact. energy: -0.045
local terms energy: -67.724161
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -14.367
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -17.955
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: 382
Temperature: 0.950000
Total energy: -214.130924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.130924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.144610 (E_RNA)
where:
Base-Base interactions energy: -148.638
where: short stacking energy: -61.938
Base-Backbone interact. energy: -0.016
local terms energy: -65.489912
where:
bonds (distance) C4'-P energy: -12.197
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -14.686
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -209.423702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.423702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.439073 (E_RNA)
where:
Base-Base interactions energy: -143.210
where: short stacking energy: -54.467
Base-Backbone interact. energy: -0.014
local terms energy: -66.214564
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -12.451
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: 382
Temperature: 1.050000
Total energy: -206.299740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.299740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.461267 (E_RNA)
where:
Base-Base interactions energy: -141.115
where: short stacking energy: -57.850
Base-Backbone interact. energy: -0.093
local terms energy: -65.252670
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -10.318
flat angles P-C4'-P energy: -8.622
tors. eta vs tors. theta energy: -17.468
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: 7
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -206.936733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.936733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.961885 (E_RNA)
where:
Base-Base interactions energy: -151.908
where: short stacking energy: -63.162
Base-Backbone interact. energy: 0.242
local terms energy: -55.295968
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -9.943
flat angles P-C4'-P energy: -4.202
tors. eta vs tors. theta energy: -16.883
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: 8
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -200.419348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.419348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.646192 (E_RNA)
where:
Base-Base interactions energy: -143.142
where: short stacking energy: -58.835
Base-Backbone interact. energy: -0.001
local terms energy: -57.502970
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -10.167
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -13.972
Dist. restrs. and SS energy: 0.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -204.187536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.187536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.335601 (E_RNA)
where:
Base-Base interactions energy: -149.354
where: short stacking energy: -61.715
Base-Backbone interact. energy: -0.122
local terms energy: -54.859488
where:
bonds (distance) C4'-P energy: -9.972
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -5.203
tors. eta vs tors. theta energy: -13.936
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: 5
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -178.698638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.698638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.605039 (E_RNA)
where:
Base-Base interactions energy: -122.592
where: short stacking energy: -54.545
Base-Backbone interact. energy: -0.013
local terms energy: -65.000047
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -15.305
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -12.649
Dist. restrs. and SS energy: 8.906 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -200.129554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.129554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.167210 (E_RNA)
where:
Base-Base interactions energy: -141.610
where: short stacking energy: -61.675
Base-Backbone interact. energy: -0.417
local terms energy: -58.139975
where:
bonds (distance) C4'-P energy: -7.296
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -12.525
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -14.285
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: 2
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -195.185561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.185561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.379167 (E_RNA)
where:
Base-Base interactions energy: -139.983
where: short stacking energy: -56.144
Base-Backbone interact. energy: -0.073
local terms energy: -55.323264
where:
bonds (distance) C4'-P energy: -10.440
bonds (distance) P-C4' energy: -12.178
flat angles C4'-P-C4' energy: -11.692
flat angles P-C4'-P energy: -5.567
tors. eta vs tors. theta energy: -15.446
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: 10
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -229.829326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.829326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.837461 (E_RNA)
where:
Base-Base interactions energy: -165.718
where: short stacking energy: -66.608
Base-Backbone interact. energy: -0.240
local terms energy: -63.879538
where:
bonds (distance) C4'-P energy: -11.570
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -5.547
tors. eta vs tors. theta energy: -18.237
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: 383
Temperature: 0.950000
Total energy: -219.796310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.796310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.949017 (E_RNA)
where:
Base-Base interactions energy: -152.336
where: short stacking energy: -68.256
Base-Backbone interact. energy: -0.001
local terms energy: -67.612339
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -11.839
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -17.437
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: 383
Temperature: 1.000000
Total energy: -223.294341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.294341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.321506 (E_RNA)
where:
Base-Base interactions energy: -159.868
where: short stacking energy: -64.237
Base-Backbone interact. energy: -0.002
local terms energy: -63.451621
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -11.711
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: -18.984
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -208.964736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.964736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.965298 (E_RNA)
where:
Base-Base interactions energy: -143.976
where: short stacking energy: -58.683
Base-Backbone interact. energy: -0.047
local terms energy: -64.942920
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -12.367
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -15.974
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: 6
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -211.180089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.180089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.326022 (E_RNA)
where:
Base-Base interactions energy: -145.842
where: short stacking energy: -55.419
Base-Backbone interact. energy: -0.125
local terms energy: -65.358634
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -6.754
tors. eta vs tors. theta energy: -13.920
Dist. restrs. and SS energy: 0.146 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -202.892145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.892145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.059072 (E_RNA)
where:
Base-Base interactions energy: -137.136
where: short stacking energy: -56.446
Base-Backbone interact. energy: -0.091
local terms energy: -65.831599
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -7.029
tors. eta vs tors. theta energy: -15.959
Dist. restrs. and SS energy: 0.167 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -200.864419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.864419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.159325 (E_RNA)
where:
Base-Base interactions energy: -145.139
where: short stacking energy: -50.857
Base-Backbone interact. energy: -0.107
local terms energy: -55.913246
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -12.746
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -4.414
tors. eta vs tors. theta energy: -9.362
Dist. restrs. and SS energy: 0.295 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -207.787633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.787633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.805142 (E_RNA)
where:
Base-Base interactions energy: -146.501
where: short stacking energy: -50.543
Base-Backbone interact. energy: -0.049
local terms energy: -61.255275
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -5.988
tors. eta vs tors. theta energy: -14.890
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -178.672719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.672719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.782940 (E_RNA)
where:
Base-Base interactions energy: -132.166
where: short stacking energy: -57.174
Base-Backbone interact. energy: -1.290
local terms energy: -53.326829
where:
bonds (distance) C4'-P energy: -5.265
bonds (distance) P-C4' energy: -11.080
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -14.766
Dist. restrs. and SS energy: 8.110 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -188.779602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.779602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.972734 (E_RNA)
where:
Base-Base interactions energy: -130.665
where: short stacking energy: -49.158
Base-Backbone interact. energy: -0.070
local terms energy: -58.238491
where:
bonds (distance) C4'-P energy: -11.134
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -12.258
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: 1, replica: 9
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -220.535406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.535406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.626872 (E_RNA)
where:
Base-Base interactions energy: -154.659
where: short stacking energy: -69.403
Base-Backbone interact. energy: -0.000
local terms energy: -65.967613
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -16.888
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -221.929182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.929182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.929182 (E_RNA)
where:
Base-Base interactions energy: -155.595
where: short stacking energy: -67.041
Base-Backbone interact. energy: -0.005
local terms energy: -66.328879
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -15.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -213.922491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.922491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.963086 (E_RNA)
where:
Base-Base interactions energy: -149.091
where: short stacking energy: -59.925
Base-Backbone interact. energy: -0.012
local terms energy: -64.860943
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -15.454
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: 4, replica: 7
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -210.462290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.462290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.539779 (E_RNA)
where:
Base-Base interactions energy: -152.160
where: short stacking energy: -60.872
Base-Backbone interact. energy: -0.003
local terms energy: -58.377406
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -11.267
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -7.059
tors. eta vs tors. theta energy: -13.884
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: 6
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -208.648263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.648263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.673761 (E_RNA)
where:
Base-Base interactions energy: -149.776
where: short stacking energy: -56.474
Base-Backbone interact. energy: -0.508
local terms energy: -58.388875
where:
bonds (distance) C4'-P energy: -13.348
bonds (distance) P-C4' energy: -14.760
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -4.610
tors. eta vs tors. theta energy: -11.194
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: 6, replica: 1
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -203.200997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.200997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.307532 (E_RNA)
where:
Base-Base interactions energy: -141.800
where: short stacking energy: -55.307
Base-Backbone interact. energy: -0.001
local terms energy: -61.507193
where:
bonds (distance) C4'-P energy: -13.045
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -10.764
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -15.537
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: 8
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -201.119923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.119923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.153585 (E_RNA)
where:
Base-Base interactions energy: -146.906
where: short stacking energy: -58.728
Base-Backbone interact. energy: -0.002
local terms energy: -54.245478
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -6.087
flat angles C4'-P-C4' energy: -12.981
flat angles P-C4'-P energy: -6.738
tors. eta vs tors. theta energy: -17.976
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: 3
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -207.528718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.528718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.605466 (E_RNA)
where:
Base-Base interactions energy: -144.597
where: short stacking energy: -60.654
Base-Backbone interact. energy: -0.000
local terms energy: -63.008188
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -9.418
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -18.001
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -206.017401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.017401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.092951 (E_RNA)
where:
Base-Base interactions energy: -143.094
where: short stacking energy: -56.401
Base-Backbone interact. energy: 2.261
local terms energy: -65.260222
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -15.744
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -182.601341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.601341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.760625 (E_RNA)
where:
Base-Base interactions energy: -129.699
where: short stacking energy: -56.161
Base-Backbone interact. energy: -0.002
local terms energy: -61.059568
where:
bonds (distance) C4'-P energy: -8.948
bonds (distance) P-C4' energy: -12.886
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: -18.509
Dist. restrs. and SS energy: 8.159 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -218.175239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.175239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.179630 (E_RNA)
where:
Base-Base interactions energy: -150.000
where: short stacking energy: -62.802
Base-Backbone interact. energy: -0.007
local terms energy: -68.172280
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -14.982
flat angles P-C4'-P energy: -10.698
tors. eta vs tors. theta energy: -14.632
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -215.848605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.848605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.051012 (E_RNA)
where:
Base-Base interactions energy: -150.881
where: short stacking energy: -64.552
Base-Backbone interact. energy: -0.166
local terms energy: -65.003579
where:
bonds (distance) C4'-P energy: -10.443
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -6.564
tors. eta vs tors. theta energy: -17.666
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: 3, replica: 10
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -218.274693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.274693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.324205 (E_RNA)
where:
Base-Base interactions energy: -154.249
where: short stacking energy: -57.550
Base-Backbone interact. energy: -0.060
local terms energy: -64.014449
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: -16.287
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -212.582001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.582001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.590934 (E_RNA)
where:
Base-Base interactions energy: -141.299
where: short stacking energy: -57.470
Base-Backbone interact. energy: -0.816
local terms energy: -70.476271
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -12.906
tors. eta vs tors. theta energy: -15.284
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -214.914839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.914839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.977243 (E_RNA)
where:
Base-Base interactions energy: -153.111
where: short stacking energy: -56.319
Base-Backbone interact. energy: -0.010
local terms energy: -61.856017
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -11.829
flat angles P-C4'-P energy: -6.291
tors. eta vs tors. theta energy: -15.804
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: 8
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -204.052861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.052861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.212715 (E_RNA)
where:
Base-Base interactions energy: -139.556
where: short stacking energy: -61.285
Base-Backbone interact. energy: -0.294
local terms energy: -64.362611
where:
bonds (distance) C4'-P energy: -9.300
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -19.785
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: 7, replica: 1
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -210.177047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.177047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.483987 (E_RNA)
where:
Base-Base interactions energy: -151.027
where: short stacking energy: -59.604
Base-Backbone interact. energy: -0.497
local terms energy: -58.959428
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -11.411
flat angles P-C4'-P energy: -6.788
tors. eta vs tors. theta energy: -14.707
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: 8, replica: 2
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -199.404986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.404986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.480134 (E_RNA)
where:
Base-Base interactions energy: -140.286
where: short stacking energy: -60.311
Base-Backbone interact. energy: -0.009
local terms energy: -59.184265
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -10.792
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -8.791
tors. eta vs tors. theta energy: -12.150
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: 3
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -190.711204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.711204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.758635 (E_RNA)
where:
Base-Base interactions energy: -132.778
where: short stacking energy: -50.459
Base-Backbone interact. energy: 0.236
local terms energy: -58.216398
where:
bonds (distance) C4'-P energy: -12.070
bonds (distance) P-C4' energy: -11.093
flat angles C4'-P-C4' energy: -11.141
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -14.509
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -180.969754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.969754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.960758 (E_RNA)
where:
Base-Base interactions energy: -131.753
where: short stacking energy: -55.559
Base-Backbone interact. energy: -0.004
local terms energy: -56.204348
where:
bonds (distance) C4'-P energy: -5.325
bonds (distance) P-C4' energy: -11.763
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -8.683
tors. eta vs tors. theta energy: -16.076
Dist. restrs. and SS energy: 6.991 (S_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: -220.220307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.220307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.357341 (E_RNA)
where:
Base-Base interactions energy: -156.756
where: short stacking energy: -68.177
Base-Backbone interact. energy: -0.323
local terms energy: -63.278334
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -12.698
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -6.707
tors. eta vs tors. theta energy: -16.023
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: 9
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -217.167244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.167244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.202090 (E_RNA)
where:
Base-Base interactions energy: -159.410
where: short stacking energy: -61.195
Base-Backbone interact. energy: -0.002
local terms energy: -57.789979
where:
bonds (distance) C4'-P energy: -10.004
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -3.763
tors. eta vs tors. theta energy: -15.368
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: 6
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -218.833188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.833188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.833188 (E_RNA)
where:
Base-Base interactions energy: -152.305
where: short stacking energy: -61.395
Base-Backbone interact. energy: -0.007
local terms energy: -66.521318
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -12.403
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -17.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -214.180665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.180665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.217399 (E_RNA)
where:
Base-Base interactions energy: -146.516
where: short stacking energy: -65.398
Base-Backbone interact. energy: -0.245
local terms energy: -67.456497
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -10.883
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -16.705
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -203.141401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.141401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.173123 (E_RNA)
where:
Base-Base interactions energy: -142.251
where: short stacking energy: -52.105
Base-Backbone interact. energy: -0.131
local terms energy: -60.791474
where:
bonds (distance) C4'-P energy: -10.042
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -14.662
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -203.634715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.634715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.684562 (E_RNA)
where:
Base-Base interactions energy: -144.051
where: short stacking energy: -62.404
Base-Backbone interact. energy: -0.191
local terms energy: -59.443186
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -11.795
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -6.864
tors. eta vs tors. theta energy: -13.633
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -200.747373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.747373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.867137 (E_RNA)
where:
Base-Base interactions energy: -146.001
where: short stacking energy: -58.735
Base-Backbone interact. energy: -0.337
local terms energy: -54.529239
where:
bonds (distance) C4'-P energy: -8.747
bonds (distance) P-C4' energy: -11.262
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -6.043
tors. eta vs tors. theta energy: -14.740
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: 8, replica: 1
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -200.513631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.513631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.672084 (E_RNA)
where:
Base-Base interactions energy: -145.359
where: short stacking energy: -59.894
Base-Backbone interact. energy: -0.011
local terms energy: -55.301645
where:
bonds (distance) C4'-P energy: -7.272
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -12.845
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -177.019826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.019826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.069049 (E_RNA)
where:
Base-Base interactions energy: -131.931
where: short stacking energy: -61.857
Base-Backbone interact. energy: -0.026
local terms energy: -53.111391
where:
bonds (distance) C4'-P energy: -1.737
bonds (distance) P-C4' energy: -12.270
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -16.116
Dist. restrs. and SS energy: 8.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -193.714086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.714086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.810797 (E_RNA)
where:
Base-Base interactions energy: -137.708
where: short stacking energy: -51.953
Base-Backbone interact. energy: -0.458
local terms energy: -55.644737
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -12.001
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -9.975
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: 4
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -223.494665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.494665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.574821 (E_RNA)
where:
Base-Base interactions energy: -166.080
where: short stacking energy: -73.951
Base-Backbone interact. energy: -0.214
local terms energy: -57.281343
where:
bonds (distance) C4'-P energy: -10.265
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -11.862
flat angles P-C4'-P energy: -3.669
tors. eta vs tors. theta energy: -17.097
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -230.274868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.274868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.297506 (E_RNA)
where:
Base-Base interactions energy: -163.777
where: short stacking energy: -64.439
Base-Backbone interact. energy: -0.245
local terms energy: -66.275502
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -13.618
flat angles P-C4'-P energy: -4.544
tors. eta vs tors. theta energy: -18.866
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -217.461212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.461212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.509153 (E_RNA)
where:
Base-Base interactions energy: -154.371
where: short stacking energy: -67.900
Base-Backbone interact. energy: 2.564
local terms energy: -65.702336
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -8.565
tors. eta vs tors. theta energy: -17.739
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -207.950318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.950318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.951933 (E_RNA)
where:
Base-Base interactions energy: -146.212
where: short stacking energy: -61.136
Base-Backbone interact. energy: -0.045
local terms energy: -61.694483
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -14.553
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: 387
Temperature: 1.100000
Total energy: -208.174313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.174313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.174313 (E_RNA)
where:
Base-Base interactions energy: -145.484
where: short stacking energy: -55.191
Base-Backbone interact. energy: -0.024
local terms energy: -62.665959
where:
bonds (distance) C4'-P energy: -10.578
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -13.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -212.118233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.118233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.132357 (E_RNA)
where:
Base-Base interactions energy: -153.264
where: short stacking energy: -65.629
Base-Backbone interact. energy: -0.243
local terms energy: -58.625250
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -10.793
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -7.149
tors. eta vs tors. theta energy: -15.366
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -201.198944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.198944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.198944 (E_RNA)
where:
Base-Base interactions energy: -142.603
where: short stacking energy: -56.630
Base-Backbone interact. energy: -0.218
local terms energy: -58.377746
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -12.026
flat angles C4'-P-C4' energy: -12.026
flat angles P-C4'-P energy: -7.196
tors. eta vs tors. theta energy: -15.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -182.422830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.422830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.932976 (E_RNA)
where:
Base-Base interactions energy: -135.911
where: short stacking energy: -61.771
Base-Backbone interact. energy: -1.237
local terms energy: -52.784594
where:
bonds (distance) C4'-P energy: -7.955
bonds (distance) P-C4' energy: -9.487
flat angles C4'-P-C4' energy: -9.901
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -14.032
Dist. restrs. and SS energy: 7.510 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -200.317610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.317610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.493391 (E_RNA)
where:
Base-Base interactions energy: -140.577
where: short stacking energy: -57.578
Base-Backbone interact. energy: -0.280
local terms energy: -59.635546
where:
bonds (distance) C4'-P energy: -6.588
bonds (distance) P-C4' energy: -9.560
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -17.884
Dist. restrs. and SS energy: 0.176 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -182.519077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.519077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.666302 (E_RNA)
where:
Base-Base interactions energy: -128.585
where: short stacking energy: -47.961
Base-Backbone interact. energy: 1.672
local terms energy: -55.753056
where:
bonds (distance) C4'-P energy: -7.380
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -10.642
flat angles P-C4'-P energy: -7.439
tors. eta vs tors. theta energy: -15.672
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: 1, replica: 6
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -236.087107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.087107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.139420 (E_RNA)
where:
Base-Base interactions energy: -176.493
where: short stacking energy: -69.629
Base-Backbone interact. energy: -0.017
local terms energy: -59.628925
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -10.449
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -4.632
tors. eta vs tors. theta energy: -16.633
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: 4
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -218.322806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.322806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.338853 (E_RNA)
where:
Base-Base interactions energy: -150.706
where: short stacking energy: -63.431
Base-Backbone interact. energy: -0.007
local terms energy: -67.626135
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -14.532
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: 388
Temperature: 1.000000
Total energy: -217.790050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.790050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.089033 (E_RNA)
where:
Base-Base interactions energy: -152.495
where: short stacking energy: -67.994
Base-Backbone interact. energy: -0.000
local terms energy: -65.594102
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -17.192
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: 4, replica: 9
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -224.400945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.400945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.457233 (E_RNA)
where:
Base-Base interactions energy: -157.261
where: short stacking energy: -67.280
Base-Backbone interact. energy: -0.001
local terms energy: -67.195625
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -10.389
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -18.703
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: 10
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -201.586654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.586654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.682584 (E_RNA)
where:
Base-Base interactions energy: -144.974
where: short stacking energy: -60.533
Base-Backbone interact. energy: -0.042
local terms energy: -56.666587
where:
bonds (distance) C4'-P energy: -7.550
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -14.027
flat angles P-C4'-P energy: -7.167
tors. eta vs tors. theta energy: -14.416
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: 2
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -207.921993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.921993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.009054 (E_RNA)
where:
Base-Base interactions energy: -143.826
where: short stacking energy: -56.793
Base-Backbone interact. energy: 1.731
local terms energy: -65.914016
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -9.910
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -15.547
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -183.661547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.661547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.693938 (E_RNA)
where:
Base-Base interactions energy: -127.587
where: short stacking energy: -49.430
Base-Backbone interact. energy: -0.347
local terms energy: -62.759882
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -11.261
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -13.813
Dist. restrs. and SS energy: 7.032 (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: 8
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -203.706752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.706752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.825473 (E_RNA)
where:
Base-Base interactions energy: -144.596
where: short stacking energy: -58.196
Base-Backbone interact. energy: -0.280
local terms energy: -58.949294
where:
bonds (distance) C4'-P energy: -8.438
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -11.149
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -17.599
Dist. restrs. and SS energy: 0.119 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -199.686979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.686979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.747156 (E_RNA)
where:
Base-Base interactions energy: -141.615
where: short stacking energy: -57.030
Base-Backbone interact. energy: -0.029
local terms energy: -58.102693
where:
bonds (distance) C4'-P energy: -13.874
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -9.067
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -13.480
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: 1
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -200.564564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.564564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.654916 (E_RNA)
where:
Base-Base interactions energy: -141.352
where: short stacking energy: -56.087
Base-Backbone interact. energy: -0.060
local terms energy: -59.243048
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -8.891
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -12.626
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -240.807705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.807705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.875251 (E_RNA)
where:
Base-Base interactions energy: -174.829
where: short stacking energy: -71.530
Base-Backbone interact. energy: -0.006
local terms energy: -66.040635
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -4.837
tors. eta vs tors. theta energy: -18.054
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -215.534888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.534888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.776268 (E_RNA)
where:
Base-Base interactions energy: -154.108
where: short stacking energy: -70.035
Base-Backbone interact. energy: -0.009
local terms energy: -61.659220
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -5.644
tors. eta vs tors. theta energy: -19.108
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: 3, replica: 7
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -220.303919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.303919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.314666 (E_RNA)
where:
Base-Base interactions energy: -156.818
where: short stacking energy: -63.562
Base-Backbone interact. energy: -0.000
local terms energy: -63.496549
where:
bonds (distance) C4'-P energy: -10.579
bonds (distance) P-C4' energy: -14.654
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -16.934
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -206.169769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.169769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.169769 (E_RNA)
where:
Base-Base interactions energy: -143.728
where: short stacking energy: -54.091
Base-Backbone interact. energy: -0.513
local terms energy: -61.929108
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -12.335
flat angles C4'-P-C4' energy: -15.942
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -13.210
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -208.032749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.032749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.290458 (E_RNA)
where:
Base-Base interactions energy: -142.003
where: short stacking energy: -54.022
Base-Backbone interact. energy: -0.612
local terms energy: -65.674947
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -11.975
Dist. restrs. and SS energy: 0.258 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -216.250144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.250144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.319604 (E_RNA)
where:
Base-Base interactions energy: -146.914
where: short stacking energy: -58.593
Base-Backbone interact. energy: -0.003
local terms energy: -69.402492
where:
bonds (distance) C4'-P energy: -8.928
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -18.352
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: 389
Temperature: 1.200000
Total energy: -189.585682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.585682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.818642 (E_RNA)
where:
Base-Base interactions energy: -137.846
where: short stacking energy: -59.065
Base-Backbone interact. energy: -0.066
local terms energy: -58.906885
where:
bonds (distance) C4'-P energy: -12.378
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -3.067
tors. eta vs tors. theta energy: -17.899
Dist. restrs. and SS energy: 7.233 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -202.662918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.662918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.739340 (E_RNA)
where:
Base-Base interactions energy: -144.221
where: short stacking energy: -59.186
Base-Backbone interact. energy: -0.006
local terms energy: -58.512305
where:
bonds (distance) C4'-P energy: -6.783
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -7.478
tors. eta vs tors. theta energy: -17.080
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: 8
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -185.124249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.124249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.330211 (E_RNA)
where:
Base-Base interactions energy: -122.148
where: short stacking energy: -46.202
Base-Backbone interact. energy: -0.012
local terms energy: -63.170423
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -8.044
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -15.924
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: 1
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -195.717898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.717898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.834176 (E_RNA)
where:
Base-Base interactions energy: -133.619
where: short stacking energy: -51.121
Base-Backbone interact. energy: -0.021
local terms energy: -62.194468
where:
bonds (distance) C4'-P energy: -9.184
bonds (distance) P-C4' energy: -12.796
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -14.916
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: 6
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -238.151940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.151940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.156788 (E_RNA)
where:
Base-Base interactions energy: -175.011
where: short stacking energy: -72.318
Base-Backbone interact. energy: -0.578
local terms energy: -62.567783
where:
bonds (distance) C4'-P energy: -9.246
bonds (distance) P-C4' energy: -11.928
flat angles C4'-P-C4' energy: -16.825
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: -18.217
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -224.210522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.210522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.233641 (E_RNA)
where:
Base-Base interactions energy: -159.766
where: short stacking energy: -66.483
Base-Backbone interact. energy: -0.002
local terms energy: -64.465455
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -2.869
tors. eta vs tors. theta energy: -19.648
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: 390
Temperature: 1.000000
Total energy: -213.694100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.694100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.694100 (E_RNA)
where:
Base-Base interactions energy: -150.911
where: short stacking energy: -67.244
Base-Backbone interact. energy: -0.001
local terms energy: -62.782230
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -11.376
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -15.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -209.415640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.415640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.609840 (E_RNA)
where:
Base-Base interactions energy: -144.470
where: short stacking energy: -63.114
Base-Backbone interact. energy: 0.587
local terms energy: -65.726366
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -16.146
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: 5, replica: 10
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -206.542050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.542050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.574889 (E_RNA)
where:
Base-Base interactions energy: -146.190
where: short stacking energy: -60.271
Base-Backbone interact. energy: -0.323
local terms energy: -60.061422
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -14.048
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -10.498
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -202.094009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.094009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.518530 (E_RNA)
where:
Base-Base interactions energy: -137.242
where: short stacking energy: -57.760
Base-Backbone interact. energy: -0.334
local terms energy: -64.942688
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -14.680
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: 7, replica: 3
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -206.845672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.845672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.873437 (E_RNA)
where:
Base-Base interactions energy: -140.075
where: short stacking energy: -56.876
Base-Backbone interact. energy: -0.009
local terms energy: -66.789679
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -10.669
tors. eta vs tors. theta energy: -15.872
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -191.514930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.514930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.644543 (E_RNA)
where:
Base-Base interactions energy: -138.355
where: short stacking energy: -60.654
Base-Backbone interact. energy: -0.007
local terms energy: -60.282696
where:
bonds (distance) C4'-P energy: -10.522
bonds (distance) P-C4' energy: -10.409
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -16.878
Dist. restrs. and SS energy: 7.130 (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: 1
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -195.981196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.981196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.987894 (E_RNA)
where:
Base-Base interactions energy: -137.508
where: short stacking energy: -53.691
Base-Backbone interact. energy: -0.564
local terms energy: -57.915603
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -6.194
tors. eta vs tors. theta energy: -14.734
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: 8
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -195.461499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.461499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.694272 (E_RNA)
where:
Base-Base interactions energy: -137.729
where: short stacking energy: -53.859
Base-Backbone interact. energy: -0.193
local terms energy: -57.771953
where:
bonds (distance) C4'-P energy: -10.356
bonds (distance) P-C4' energy: -14.071
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -5.111
tors. eta vs tors. theta energy: -14.070
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: 6
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -238.629955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.629955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.723626 (E_RNA)
where:
Base-Base interactions energy: -172.690
where: short stacking energy: -69.091
Base-Backbone interact. energy: -0.019
local terms energy: -66.014431
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -7.137
tors. eta vs tors. theta energy: -16.788
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -227.601857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.601857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.601857 (E_RNA)
where:
Base-Base interactions energy: -163.501
where: short stacking energy: -64.438
Base-Backbone interact. energy: -0.020
local terms energy: -64.080493
where:
bonds (distance) C4'-P energy: -10.282
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -19.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -229.970528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.970528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.020423 (E_RNA)
where:
Base-Base interactions energy: -165.826
where: short stacking energy: -68.684
Base-Backbone interact. energy: -0.487
local terms energy: -63.707779
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -6.255
tors. eta vs tors. theta energy: -15.315
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -208.852739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.852739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.939062 (E_RNA)
where:
Base-Base interactions energy: -145.434
where: short stacking energy: -60.852
Base-Backbone interact. energy: -0.001
local terms energy: -63.503474
where:
bonds (distance) C4'-P energy: -10.020
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -11.592
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -204.213461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.213461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.280065 (E_RNA)
where:
Base-Base interactions energy: -144.791
where: short stacking energy: -59.116
Base-Backbone interact. energy: -0.157
local terms energy: -59.332369
where:
bonds (distance) C4'-P energy: -12.066
bonds (distance) P-C4' energy: -12.259
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -5.607
tors. eta vs tors. theta energy: -15.665
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: 3
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -204.126184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.126184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.156651 (E_RNA)
where:
Base-Base interactions energy: -140.047
where: short stacking energy: -56.650
Base-Backbone interact. energy: -0.574
local terms energy: -63.535293
where:
bonds (distance) C4'-P energy: -10.773
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -6.764
tors. eta vs tors. theta energy: -16.930
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -202.037992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.037992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.097043 (E_RNA)
where:
Base-Base interactions energy: -138.820
where: short stacking energy: -61.395
Base-Backbone interact. energy: -0.018
local terms energy: -63.259317
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -11.081
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -17.308
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: 1
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -195.283284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.283284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.342496 (E_RNA)
where:
Base-Base interactions energy: -142.537
where: short stacking energy: -60.169
Base-Backbone interact. energy: 0.664
local terms energy: -53.469547
where:
bonds (distance) C4'-P energy: -5.580
bonds (distance) P-C4' energy: -12.302
flat angles C4'-P-C4' energy: -10.251
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -15.584
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: 391
Temperature: 1.300000
Total energy: -188.191236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.191236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.123288 (E_RNA)
where:
Base-Base interactions energy: -135.015
where: short stacking energy: -61.618
Base-Backbone interact. energy: 0.901
local terms energy: -61.009700
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -12.757
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -6.022
tors. eta vs tors. theta energy: -15.726
Dist. restrs. and SS energy: 6.932 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -186.920144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.920144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.179752 (E_RNA)
where:
Base-Base interactions energy: -125.609
where: short stacking energy: -45.974
Base-Backbone interact. energy: -0.279
local terms energy: -61.291809
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -11.059
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -12.172
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: 392
Temperature: 0.900000
Total energy: -227.421089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.421089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.507817 (E_RNA)
where:
Base-Base interactions energy: -162.843
where: short stacking energy: -64.775
Base-Backbone interact. energy: -0.002
local terms energy: -64.662130
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: -15.749
Dist. restrs. and SS energy: 0.087 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -231.099927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.099927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.105855 (E_RNA)
where:
Base-Base interactions energy: -168.189
where: short stacking energy: -72.223
Base-Backbone interact. energy: -0.025
local terms energy: -62.892559
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -11.503
flat angles P-C4'-P energy: -7.637
tors. eta vs tors. theta energy: -16.554
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: 392
Temperature: 1.000000
Total energy: -227.840135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.840135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.987342 (E_RNA)
where:
Base-Base interactions energy: -164.962
where: short stacking energy: -66.041
Base-Backbone interact. energy: -0.012
local terms energy: -63.012408
where:
bonds (distance) C4'-P energy: -10.988
bonds (distance) P-C4' energy: -12.907
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -5.535
tors. eta vs tors. theta energy: -18.672
Dist. restrs. and SS energy: 0.147 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -203.461202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.461202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.561192 (E_RNA)
where:
Base-Base interactions energy: -141.662
where: short stacking energy: -61.898
Base-Backbone interact. energy: -0.005
local terms energy: -61.895005
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -5.981
tors. eta vs tors. theta energy: -17.104
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: 3
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -206.066483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.066483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.167601 (E_RNA)
where:
Base-Base interactions energy: -146.733
where: short stacking energy: -59.604
Base-Backbone interact. energy: 0.645
local terms energy: -60.079278
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -10.422
flat angles P-C4'-P energy: -6.633
tors. eta vs tors. theta energy: -15.503
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: 9
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -211.690600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.690600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.690600 (E_RNA)
where:
Base-Base interactions energy: -144.146
where: short stacking energy: -60.364
Base-Backbone interact. energy: -0.863
local terms energy: -66.681372
where:
bonds (distance) C4'-P energy: -11.644
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -17.156
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -206.420318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.420318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.492803 (E_RNA)
where:
Base-Base interactions energy: -147.748
where: short stacking energy: -59.805
Base-Backbone interact. energy: -0.603
local terms energy: -58.142016
where:
bonds (distance) C4'-P energy: -10.173
bonds (distance) P-C4' energy: -12.760
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -14.318
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -196.328491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.328491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.375944 (E_RNA)
where:
Base-Base interactions energy: -140.471
where: short stacking energy: -59.361
Base-Backbone interact. energy: -0.120
local terms energy: -55.785028
where:
bonds (distance) C4'-P energy: -8.960
bonds (distance) P-C4' energy: -12.237
flat angles C4'-P-C4' energy: -11.279
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -14.558
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -174.167508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.167508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.121316 (E_RNA)
where:
Base-Base interactions energy: -126.562
where: short stacking energy: -57.554
Base-Backbone interact. energy: -0.415
local terms energy: -54.144209
where:
bonds (distance) C4'-P energy: -5.777
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -16.018
Dist. restrs. and SS energy: 6.954 (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: 8
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -193.424803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.424803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.605001 (E_RNA)
where:
Base-Base interactions energy: -136.420
where: short stacking energy: -51.155
Base-Backbone interact. energy: -0.455
local terms energy: -56.729864
where:
bonds (distance) C4'-P energy: -8.693
bonds (distance) P-C4' energy: -11.510
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -15.163
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: 1, replica: 7
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -226.217016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.217016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.217016 (E_RNA)
where:
Base-Base interactions energy: -161.122
where: short stacking energy: -61.182
Base-Backbone interact. energy: -0.000
local terms energy: -65.095139
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -13.437
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -7.416
tors. eta vs tors. theta energy: -18.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -230.998848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.998848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.022568 (E_RNA)
where:
Base-Base interactions energy: -170.566
where: short stacking energy: -67.052
Base-Backbone interact. energy: -0.001
local terms energy: -60.456027
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -13.867
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -3.527
tors. eta vs tors. theta energy: -17.165
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -223.453739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.453739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.467781 (E_RNA)
where:
Base-Base interactions energy: -164.670
where: short stacking energy: -59.192
Base-Backbone interact. energy: -0.100
local terms energy: -58.697660
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -12.066
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -14.014
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -212.409471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.409471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.474911 (E_RNA)
where:
Base-Base interactions energy: -147.186
where: short stacking energy: -62.417
Base-Backbone interact. energy: -0.804
local terms energy: -64.485095
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -11.477
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -9.873
tors. eta vs tors. theta energy: -16.113
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: 10
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -212.182425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.182425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.229285 (E_RNA)
where:
Base-Base interactions energy: -163.108
where: short stacking energy: -65.467
Base-Backbone interact. energy: -0.318
local terms energy: -48.803240
where:
bonds (distance) C4'-P energy: -7.441
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -0.203
tors. eta vs tors. theta energy: -13.968
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -206.589930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.589930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.589930 (E_RNA)
where:
Base-Base interactions energy: -141.941
where: short stacking energy: -53.785
Base-Backbone interact. energy: -0.094
local terms energy: -64.555314
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -15.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -209.034215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.034215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.045160 (E_RNA)
where:
Base-Base interactions energy: -163.572
where: short stacking energy: -63.024
Base-Backbone interact. energy: -0.020
local terms energy: -45.453638
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -10.345
flat angles C4'-P-C4' energy: -6.528
flat angles P-C4'-P energy: -1.292
tors. eta vs tors. theta energy: -15.298
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -203.949458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.949458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.042266 (E_RNA)
where:
Base-Base interactions energy: -150.773
where: short stacking energy: -60.709
Base-Backbone interact. energy: -0.015
local terms energy: -53.254450
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -10.237
flat angles C4'-P-C4' energy: -12.135
flat angles P-C4'-P energy: -2.389
tors. eta vs tors. theta energy: -17.719
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: 5
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -181.546198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.546198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.825926 (E_RNA)
where:
Base-Base interactions energy: -130.323
where: short stacking energy: -52.208
Base-Backbone interact. energy: -0.977
local terms energy: -57.526674
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -6.763
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -14.114
Dist. restrs. and SS energy: 7.280 (S_DIST_RNA)
chem. 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: -188.553228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.553228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.615421 (E_RNA)
where:
Base-Base interactions energy: -137.792
where: short stacking energy: -57.146
Base-Backbone interact. energy: -0.003
local terms energy: -50.820299
where:
bonds (distance) C4'-P energy: -11.471
bonds (distance) P-C4' energy: -8.680
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -4.011
tors. eta vs tors. theta energy: -12.789
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: 394
Temperature: 0.900000
Total energy: -236.083753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.083753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.083753 (E_RNA)
where:
Base-Base interactions energy: -173.685
where: short stacking energy: -71.122
Base-Backbone interact. energy: -0.174
local terms energy: -62.224690
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -11.073
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -3.823
tors. eta vs tors. theta energy: -18.785
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -223.117642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.117642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.117642 (E_RNA)
where:
Base-Base interactions energy: -158.657
where: short stacking energy: -62.652
Base-Backbone interact. energy: -0.013
local terms energy: -64.447678
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -14.268
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -6.270
tors. eta vs tors. theta energy: -17.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -236.455614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.455614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.474684 (E_RNA)
where:
Base-Base interactions energy: -172.745
where: short stacking energy: -67.547
Base-Backbone interact. energy: -0.001
local terms energy: -63.728827
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -11.186
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -6.585
tors. eta vs tors. theta energy: -17.986
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: 3
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -208.961432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.961432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.067333 (E_RNA)
where:
Base-Base interactions energy: -153.720
where: short stacking energy: -55.355
Base-Backbone interact. energy: -0.355
local terms energy: -54.992368
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -11.052
flat angles P-C4'-P energy: -5.219
tors. eta vs tors. theta energy: -13.178
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: 1
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -218.021035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.021035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.030320 (E_RNA)
where:
Base-Base interactions energy: -158.008
where: short stacking energy: -57.315
Base-Backbone interact. energy: -1.155
local terms energy: -58.867010
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -11.013
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -4.814
tors. eta vs tors. theta energy: -16.976
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -211.960522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.960522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.009495 (E_RNA)
where:
Base-Base interactions energy: -154.351
where: short stacking energy: -61.783
Base-Backbone interact. energy: -0.387
local terms energy: -57.271296
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -11.622
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -4.163
tors. eta vs tors. theta energy: -15.131
Dist. restrs. and SS energy: 0.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -222.551462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.551462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.556725 (E_RNA)
where:
Base-Base interactions energy: -162.057
where: short stacking energy: -57.796
Base-Backbone interact. energy: -0.143
local terms energy: -60.356733
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -6.199
tors. eta vs tors. theta energy: -14.111
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -200.918184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.918184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.976345 (E_RNA)
where:
Base-Base interactions energy: -132.833
where: short stacking energy: -55.389
Base-Backbone interact. energy: -0.001
local terms energy: -68.142400
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -10.681
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -19.302
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: 394
Temperature: 1.300000
Total energy: -195.940483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.940483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.037457 (E_RNA)
where:
Base-Base interactions energy: -140.075
where: short stacking energy: -54.968
Base-Backbone interact. energy: 0.782
local terms energy: -56.744402
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: -12.045
Dist. restrs. and SS energy: 0.097 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -176.998717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.998717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.460480 (E_RNA)
where:
Base-Base interactions energy: -126.166
where: short stacking energy: -52.922
Base-Backbone interact. energy: -0.001
local terms energy: -58.293699
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -9.771
flat angles C4'-P-C4' energy: -12.840
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -17.211
Dist. restrs. and SS energy: 7.462 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -234.109278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.109278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.221326 (E_RNA)
where:
Base-Base interactions energy: -169.674
where: short stacking energy: -68.693
Base-Backbone interact. energy: -0.046
local terms energy: -64.502091
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -11.294
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -4.625
tors. eta vs tors. theta energy: -19.814
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -230.977906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.977906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.028044 (E_RNA)
where:
Base-Base interactions energy: -176.327
where: short stacking energy: -68.525
Base-Backbone interact. energy: -0.006
local terms energy: -54.694294
where:
bonds (distance) C4'-P energy: -9.068
bonds (distance) P-C4' energy: -10.933
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -4.792
tors. eta vs tors. theta energy: -17.401
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -213.134021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.134021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.266593 (E_RNA)
where:
Base-Base interactions energy: -152.875
where: short stacking energy: -57.540
Base-Backbone interact. energy: -0.271
local terms energy: -60.120474
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -10.345
flat angles P-C4'-P energy: -6.377
tors. eta vs tors. theta energy: -15.517
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: 1
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -227.126741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.126741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.270586 (E_RNA)
where:
Base-Base interactions energy: -164.624
where: short stacking energy: -65.373
Base-Backbone interact. energy: -0.264
local terms energy: -62.382694
where:
bonds (distance) C4'-P energy: -9.834
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -6.124
tors. eta vs tors. theta energy: -16.012
Dist. restrs. and SS energy: 0.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -206.334493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.334493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.337372 (E_RNA)
where:
Base-Base interactions energy: -142.593
where: short stacking energy: -54.492
Base-Backbone interact. energy: -0.006
local terms energy: -63.738049
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -11.483
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -14.893
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: 395
Temperature: 1.150000
Total energy: -216.222881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.222881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.327549 (E_RNA)
where:
Base-Base interactions energy: -154.124
where: short stacking energy: -55.361
Base-Backbone interact. energy: -0.003
local terms energy: -62.201234
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -12.176
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -7.940
tors. eta vs tors. theta energy: -13.606
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: 395
Temperature: 1.200000
Total energy: -206.545763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.545763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.583769 (E_RNA)
where:
Base-Base interactions energy: -150.527
where: short stacking energy: -54.942
Base-Backbone interact. energy: -0.232
local terms energy: -55.824621
where:
bonds (distance) C4'-P energy: -9.176
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -9.102
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: 395
Temperature: 1.250000
Total energy: -197.663020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.663020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.802438 (E_RNA)
where:
Base-Base interactions energy: -148.237
where: short stacking energy: -55.894
Base-Backbone interact. energy: -0.309
local terms energy: -49.257149
where:
bonds (distance) C4'-P energy: -3.280
bonds (distance) P-C4' energy: -11.877
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -4.776
tors. eta vs tors. theta energy: -14.297
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -199.362799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.362799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.479678 (E_RNA)
where:
Base-Base interactions energy: -137.051
where: short stacking energy: -51.622
Base-Backbone interact. energy: -0.674
local terms energy: -61.754679
where:
bonds (distance) C4'-P energy: -10.891
bonds (distance) P-C4' energy: -12.247
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -16.747
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -177.791326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.791326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.840248 (E_RNA)
where:
Base-Base interactions energy: -132.269
where: short stacking energy: -55.103
Base-Backbone interact. energy: -0.010
local terms energy: -53.561288
where:
bonds (distance) C4'-P energy: -9.670
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -12.216
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: -12.183
Dist. restrs. and SS energy: 8.049 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -239.646845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.646845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.669575 (E_RNA)
where:
Base-Base interactions energy: -176.051
where: short stacking energy: -73.090
Base-Backbone interact. energy: -0.020
local terms energy: -63.598286
where:
bonds (distance) C4'-P energy: -9.818
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -6.312
tors. eta vs tors. theta energy: -17.526
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -212.878787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.878787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.885099 (E_RNA)
where:
Base-Base interactions energy: -144.830
where: short stacking energy: -56.662
Base-Backbone interact. energy: -0.030
local terms energy: -68.025814
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -7.673
tors. eta vs tors. theta energy: -15.137
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: 1
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -220.498352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.498352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.525643 (E_RNA)
where:
Base-Base interactions energy: -161.309
where: short stacking energy: -65.147
Base-Backbone interact. energy: -0.184
local terms energy: -59.032850
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -11.333
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -4.919
tors. eta vs tors. theta energy: -15.577
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -215.433096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.433096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.511430 (E_RNA)
where:
Base-Base interactions energy: -148.973
where: short stacking energy: -63.599
Base-Backbone interact. energy: -0.154
local terms energy: -66.384582
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -12.971
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -15.729
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: 2
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -212.220278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.220278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.220278 (E_RNA)
where:
Base-Base interactions energy: -148.592
where: short stacking energy: -58.739
Base-Backbone interact. energy: -0.036
local terms energy: -63.592301
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -10.954
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -17.961
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -197.506659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.506659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.548135 (E_RNA)
where:
Base-Base interactions energy: -136.767
where: short stacking energy: -54.499
Base-Backbone interact. energy: -0.243
local terms energy: -60.537978
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -14.247
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -198.874010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.874010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.008786 (E_RNA)
where:
Base-Base interactions energy: -142.282
where: short stacking energy: -54.542
Base-Backbone interact. energy: -0.076
local terms energy: -56.650899
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -9.605
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -14.236
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -196.890155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.890155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.890155 (E_RNA)
where:
Base-Base interactions energy: -144.294
where: short stacking energy: -59.513
Base-Backbone interact. energy: -0.006
local terms energy: -52.589453
where:
bonds (distance) C4'-P energy: -8.133
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -3.366
tors. eta vs tors. theta energy: -15.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -204.280546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.280546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.452762 (E_RNA)
where:
Base-Base interactions energy: -143.802
where: short stacking energy: -58.616
Base-Backbone interact. energy: -0.771
local terms energy: -59.878849
where:
bonds (distance) C4'-P energy: -9.109
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -6.652
tors. eta vs tors. theta energy: -15.774
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: 5
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -173.520047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.520047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.040238 (E_RNA)
where:
Base-Base interactions energy: -118.757
where: short stacking energy: -48.789
Base-Backbone interact. energy: -0.017
local terms energy: -61.265812
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -10.710
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -13.972
Dist. restrs. and SS energy: 6.520 (S_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: 397
Temperature: 0.900000
Total energy: -240.226102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.226102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.226102 (E_RNA)
where:
Base-Base interactions energy: -171.717
where: short stacking energy: -70.758
Base-Backbone interact. energy: -0.061
local terms energy: -68.447316
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -5.525
tors. eta vs tors. theta energy: -19.391
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -226.831383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.831383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.841525 (E_RNA)
where:
Base-Base interactions energy: -162.067
where: short stacking energy: -65.330
Base-Backbone interact. energy: -0.024
local terms energy: -64.750724
where:
bonds (distance) C4'-P energy: -12.819
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -16.343
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -222.332331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.332331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.332331 (E_RNA)
where:
Base-Base interactions energy: -157.967
where: short stacking energy: -67.001
Base-Backbone interact. energy: -0.001
local terms energy: -64.363751
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -7.120
tors. eta vs tors. theta energy: -17.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -216.909996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.909996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.939767 (E_RNA)
where:
Base-Base interactions energy: -148.310
where: short stacking energy: -65.439
Base-Backbone interact. energy: -0.285
local terms energy: -68.344570
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -17.692
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -208.930773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.930773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.954478 (E_RNA)
where:
Base-Base interactions energy: -144.405
where: short stacking energy: -62.336
Base-Backbone interact. energy: -0.319
local terms energy: -64.230893
where:
bonds (distance) C4'-P energy: -10.584
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -17.009
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: 397
Temperature: 1.150000
Total energy: -201.171504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.171504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.171504 (E_RNA)
where:
Base-Base interactions energy: -139.985
where: short stacking energy: -60.753
Base-Backbone interact. energy: -0.300
local terms energy: -60.887017
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -11.367
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -17.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -200.130868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.130868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.130868 (E_RNA)
where:
Base-Base interactions energy: -138.489
where: short stacking energy: -47.008
Base-Backbone interact. energy: -0.001
local terms energy: -61.640807
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -11.921
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -5.397
tors. eta vs tors. theta energy: -14.619
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -193.832554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.832554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.843773 (E_RNA)
where:
Base-Base interactions energy: -134.937
where: short stacking energy: -54.758
Base-Backbone interact. energy: -0.507
local terms energy: -58.400061
where:
bonds (distance) C4'-P energy: -12.498
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -11.115
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: 397
Temperature: 1.300000
Total energy: -196.373855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.373855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.691299 (E_RNA)
where:
Base-Base interactions energy: -136.707
where: short stacking energy: -53.877
Base-Backbone interact. energy: -0.023
local terms energy: -59.961937
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -9.851
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -16.388
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: 10, replica: 5
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -184.701420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.701420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.734109 (E_RNA)
where:
Base-Base interactions energy: -137.082
where: short stacking energy: -57.395
Base-Backbone interact. energy: -0.739
local terms energy: -52.912928
where:
bonds (distance) C4'-P energy: -7.885
bonds (distance) P-C4' energy: -10.334
flat angles C4'-P-C4' energy: -8.517
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -16.211
Dist. restrs. and SS energy: 6.033 (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: 1
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -222.736170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.736170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.874449 (E_RNA)
where:
Base-Base interactions energy: -159.859
where: short stacking energy: -64.317
Base-Backbone interact. energy: -0.004
local terms energy: -63.012111
where:
bonds (distance) C4'-P energy: -10.390
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -16.712
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -235.734803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.734803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.825623 (E_RNA)
where:
Base-Base interactions energy: -171.427
where: short stacking energy: -71.258
Base-Backbone interact. energy: -0.690
local terms energy: -63.707867
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -11.778
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -18.846
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -222.597977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.597977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.725954 (E_RNA)
where:
Base-Base interactions energy: -155.114
where: short stacking energy: -65.203
Base-Backbone interact. energy: -0.010
local terms energy: -67.601824
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -17.259
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -217.708423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.708423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.731535 (E_RNA)
where:
Base-Base interactions energy: -152.628
where: short stacking energy: -66.515
Base-Backbone interact. energy: -0.004
local terms energy: -65.100073
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -17.564
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: 10
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -209.127713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.127713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.537961 (E_RNA)
where:
Base-Base interactions energy: -145.619
where: short stacking energy: -60.976
Base-Backbone interact. energy: -0.080
local terms energy: -63.839158
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -6.749
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -15.420
Dist. restrs. and SS energy: 0.410 (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: 2
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -201.740333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.740333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.751216 (E_RNA)
where:
Base-Base interactions energy: -140.864
where: short stacking energy: -59.175
Base-Backbone interact. energy: 0.169
local terms energy: -61.056678
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -16.159
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: 3
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -203.378536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.378536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.502094 (E_RNA)
where:
Base-Base interactions energy: -145.190
where: short stacking energy: -61.330
Base-Backbone interact. energy: 0.347
local terms energy: -58.659338
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -11.960
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -6.624
tors. eta vs tors. theta energy: -16.198
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: 398
Temperature: 1.250000
Total energy: -192.716964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.716964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.842594 (E_RNA)
where:
Base-Base interactions energy: -134.113
where: short stacking energy: -50.670
Base-Backbone interact. energy: -0.009
local terms energy: -58.720823
where:
bonds (distance) C4'-P energy: -11.233
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -11.678
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -11.117
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: 8
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -187.971316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.971316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.998447 (E_RNA)
where:
Base-Base interactions energy: -130.091
where: short stacking energy: -46.504
Base-Backbone interact. energy: -0.165
local terms energy: -57.742391
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -11.578
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -8.291
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: 5
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -166.632972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.632972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.473860 (E_RNA)
where:
Base-Base interactions energy: -124.750
where: short stacking energy: -46.305
Base-Backbone interact. energy: -0.093
local terms energy: -49.630793
where:
bonds (distance) C4'-P energy: -8.530
bonds (distance) P-C4' energy: -11.969
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -7.081
tors. eta vs tors. theta energy: -8.502
Dist. restrs. and SS energy: 7.841 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -227.263553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.263553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.271494 (E_RNA)
where:
Base-Base interactions energy: -161.015
where: short stacking energy: -66.400
Base-Backbone interact. energy: -0.000
local terms energy: -66.256610
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -9.080
tors. eta vs tors. theta energy: -16.414
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: 4
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -231.228268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.228268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.289941 (E_RNA)
where:
Base-Base interactions energy: -169.558
where: short stacking energy: -69.265
Base-Backbone interact. energy: -0.031
local terms energy: -61.701908
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -4.627
tors. eta vs tors. theta energy: -18.141
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: 399
Temperature: 1.000000
Total energy: -214.726734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.726734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.850060 (E_RNA)
where:
Base-Base interactions energy: -155.425
where: short stacking energy: -63.208
Base-Backbone interact. energy: -0.349
local terms energy: -59.076900
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -6.736
tors. eta vs tors. theta energy: -13.657
Dist. restrs. and SS energy: 0.123 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -210.844268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.844268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.886405 (E_RNA)
where:
Base-Base interactions energy: -143.244
where: short stacking energy: -62.681
Base-Backbone interact. energy: 1.100
local terms energy: -68.743262
where:
bonds (distance) C4'-P energy: -12.106
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -18.238
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -198.795004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.795004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.832019 (E_RNA)
where:
Base-Base interactions energy: -140.419
where: short stacking energy: -54.642
Base-Backbone interact. energy: -0.103
local terms energy: -58.310539
where:
bonds (distance) C4'-P energy: -11.245
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -10.689
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -14.607
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -205.396466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.396466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.657863 (E_RNA)
where:
Base-Base interactions energy: -139.548
where: short stacking energy: -61.646
Base-Backbone interact. energy: -0.203
local terms energy: -65.906955
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -17.791
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: 2
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -207.297130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.297130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.330144 (E_RNA)
where:
Base-Base interactions energy: -143.203
where: short stacking energy: -59.945
Base-Backbone interact. energy: -0.091
local terms energy: -64.036331
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -11.445
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -15.589
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: 399
Temperature: 1.250000
Total energy: -202.302364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.302364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.413094 (E_RNA)
where:
Base-Base interactions energy: -143.258
where: short stacking energy: -57.956
Base-Backbone interact. energy: -0.051
local terms energy: -59.104359
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -9.036
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -16.334
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -195.568961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.568961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.238786 (E_RNA)
where:
Base-Base interactions energy: -143.342
where: short stacking energy: -60.377
Base-Backbone interact. energy: -0.319
local terms energy: -52.577950
where:
bonds (distance) C4'-P energy: -12.975
bonds (distance) P-C4' energy: -6.496
flat angles C4'-P-C4' energy: -12.204
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -12.209
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: 10, replica: 5
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -170.316891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.316891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.070076 (E_RNA)
where:
Base-Base interactions energy: -115.946
where: short stacking energy: -46.179
Base-Backbone interact. energy: -0.115
local terms energy: -61.008576
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -13.263
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -10.757
Dist. restrs. and SS energy: 6.753 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -241.389894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.389894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.434202 (E_RNA)
where:
Base-Base interactions energy: -177.164
where: short stacking energy: -72.164
Base-Backbone interact. energy: -0.250
local terms energy: -64.019939
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -5.041
tors. eta vs tors. theta energy: -17.697
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: 400
Temperature: 0.950000
Total energy: -224.050278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.050278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.153229 (E_RNA)
where:
Base-Base interactions energy: -159.395
where: short stacking energy: -62.322
Base-Backbone interact. energy: -0.048
local terms energy: -64.710459
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -17.845
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: 7
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -208.511123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.511123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.600924 (E_RNA)
where:
Base-Base interactions energy: -145.990
where: short stacking energy: -58.233
Base-Backbone interact. energy: -0.042
local terms energy: -62.569092
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -6.934
tors. eta vs tors. theta energy: -14.443
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -209.078703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.078703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.078703 (E_RNA)
where:
Base-Base interactions energy: -140.261
where: short stacking energy: -56.312
Base-Backbone interact. energy: -0.009
local terms energy: -68.808558
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -16.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -203.017566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.017566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.049017 (E_RNA)
where:
Base-Base interactions energy: -140.781
where: short stacking energy: -56.321
Base-Backbone interact. energy: -0.265
local terms energy: -62.003070
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -12.194
flat angles C4'-P-C4' energy: -10.920
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -16.221
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: 10
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -207.875307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.875307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.875307 (E_RNA)
where:
Base-Base interactions energy: -139.186
where: short stacking energy: -53.899
Base-Backbone interact. energy: -0.043
local terms energy: -68.646628
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -15.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -196.031530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.031530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.031983 (E_RNA)
where:
Base-Base interactions energy: -138.550
where: short stacking energy: -56.318
Base-Backbone interact. energy: -0.055
local terms energy: -57.427288
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -12.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -198.099900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.099900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.303169 (E_RNA)
where:
Base-Base interactions energy: -143.131
where: short stacking energy: -55.084
Base-Backbone interact. energy: -0.058
local terms energy: -55.113288
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -11.994
flat angles P-C4'-P energy: -5.971
tors. eta vs tors. theta energy: -11.651
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: 9
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -199.825017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.825017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.882729 (E_RNA)
where:
Base-Base interactions energy: -142.510
where: short stacking energy: -56.727
Base-Backbone interact. energy: -0.000
local terms energy: -57.372629
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -8.400
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -15.859
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: 5
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -172.619776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.619776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.915396 (E_RNA)
where:
Base-Base interactions energy: -127.064
where: short stacking energy: -54.826
Base-Backbone interact. energy: -0.553
local terms energy: -53.298428
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -9.119
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -9.156
Dist. restrs. and SS energy: 8.296 (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: 4
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -233.664260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.664260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.666482 (E_RNA)
where:
Base-Base interactions energy: -172.734
where: short stacking energy: -67.592
Base-Backbone interact. energy: -0.003
local terms energy: -60.928705
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -4.590
tors. eta vs tors. theta energy: -16.176
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -223.101979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.101979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.142845 (E_RNA)
where:
Base-Base interactions energy: -163.971
where: short stacking energy: -62.249
Base-Backbone interact. energy: -0.006
local terms energy: -59.165387
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -10.411
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -4.979
tors. eta vs tors. theta energy: -16.338
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: 7
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -209.382249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.382249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.434715 (E_RNA)
where:
Base-Base interactions energy: -144.285
where: short stacking energy: -62.073
Base-Backbone interact. energy: 0.653
local terms energy: -65.802145
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -11.867
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -14.638
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: 401
Temperature: 1.050000
Total energy: -213.182830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.182830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.260211 (E_RNA)
where:
Base-Base interactions energy: -153.236
where: short stacking energy: -63.102
Base-Backbone interact. energy: -0.001
local terms energy: -60.024049
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -12.290
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -14.963
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: 6
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -204.790744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.790744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.829593 (E_RNA)
where:
Base-Base interactions energy: -143.576
where: short stacking energy: -59.993
Base-Backbone interact. energy: -0.457
local terms energy: -60.796806
where:
bonds (distance) C4'-P energy: -7.963
bonds (distance) P-C4' energy: -13.099
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -14.695
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -217.265011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.265011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.345299 (E_RNA)
where:
Base-Base interactions energy: -156.358
where: short stacking energy: -59.124
Base-Backbone interact. energy: -0.056
local terms energy: -60.931874
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -12.075
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -14.798
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -199.260809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.260809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.503369 (E_RNA)
where:
Base-Base interactions energy: -137.663
where: short stacking energy: -57.241
Base-Backbone interact. energy: -0.003
local terms energy: -61.837105
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -13.363
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -13.392
Dist. restrs. and SS energy: 0.243 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -197.649944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.649944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.671000 (E_RNA)
where:
Base-Base interactions energy: -137.745
where: short stacking energy: -56.517
Base-Backbone interact. energy: -0.007
local terms energy: -59.919322
where:
bonds (distance) C4'-P energy: -10.549
bonds (distance) P-C4' energy: -11.671
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -14.607
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: 8
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -195.259018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.259018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.259018 (E_RNA)
where:
Base-Base interactions energy: -138.844
where: short stacking energy: -52.852
Base-Backbone interact. energy: -0.273
local terms energy: -56.142797
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -9.216
flat angles C4'-P-C4' energy: -9.930
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -14.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -175.680866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.680866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.204615 (E_RNA)
where:
Base-Base interactions energy: -123.351
where: short stacking energy: -46.113
Base-Backbone interact. energy: -0.349
local terms energy: -59.504956
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -12.997
flat angles C4'-P-C4' energy: -8.688
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -15.046
Dist. restrs. and SS energy: 7.524 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -233.631240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.631240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.718166 (E_RNA)
where:
Base-Base interactions energy: -168.073
where: short stacking energy: -66.424
Base-Backbone interact. energy: -0.102
local terms energy: -65.543263
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -12.483
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -17.574
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: 4
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -229.251208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.251208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.262198 (E_RNA)
where:
Base-Base interactions energy: -165.457
where: short stacking energy: -66.121
Base-Backbone interact. energy: -0.001
local terms energy: -63.803682
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: -15.158
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -218.654384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.654384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.735702 (E_RNA)
where:
Base-Base interactions energy: -154.282
where: short stacking energy: -62.712
Base-Backbone interact. energy: -0.003
local terms energy: -64.450364
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -15.352
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: 402
Temperature: 1.050000
Total energy: -210.730129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.730129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.807961 (E_RNA)
where:
Base-Base interactions energy: -151.415
where: short stacking energy: -60.611
Base-Backbone interact. energy: -0.007
local terms energy: -59.385483
where:
bonds (distance) C4'-P energy: -10.013
bonds (distance) P-C4' energy: -11.505
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -11.464
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: 2
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -207.484977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.484977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.506563 (E_RNA)
where:
Base-Base interactions energy: -145.666
where: short stacking energy: -56.081
Base-Backbone interact. energy: -0.660
local terms energy: -61.180497
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -11.222
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -205.853889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.853889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.099065 (E_RNA)
where:
Base-Base interactions energy: -153.500
where: short stacking energy: -63.566
Base-Backbone interact. energy: 1.024
local terms energy: -53.623532
where:
bonds (distance) C4'-P energy: -10.576
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -7.807
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -14.365
Dist. restrs. and SS energy: 0.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -214.985595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.985595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.032496 (E_RNA)
where:
Base-Base interactions energy: -155.698
where: short stacking energy: -62.342
Base-Backbone interact. energy: -0.033
local terms energy: -59.301080
where:
bonds (distance) C4'-P energy: -9.088
bonds (distance) P-C4' energy: -12.569
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -13.895
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -203.002697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.002697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.013032 (E_RNA)
where:
Base-Base interactions energy: -149.711
where: short stacking energy: -57.161
Base-Backbone interact. energy: -0.048
local terms energy: -53.254127
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -6.443
flat angles C4'-P-C4' energy: -11.267
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -14.230
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -176.302888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.302888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.704720 (E_RNA)
where:
Base-Base interactions energy: -125.364
where: short stacking energy: -52.394
Base-Backbone interact. energy: -0.125
local terms energy: -59.216063
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -7.592
tors. eta vs tors. theta energy: -12.713
Dist. restrs. and SS energy: 8.402 (S_DIST_RNA)
chem. 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: -194.459836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.459836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.487361 (E_RNA)
where:
Base-Base interactions energy: -131.330
where: short stacking energy: -56.243
Base-Backbone interact. energy: -0.087
local terms energy: -63.070644
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -12.297
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: 1, replica: 1
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -233.436611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.436611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.436611 (E_RNA)
where:
Base-Base interactions energy: -173.558
where: short stacking energy: -72.221
Base-Backbone interact. energy: -0.051
local terms energy: -59.828143
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -11.850
flat angles P-C4'-P energy: -7.148
tors. eta vs tors. theta energy: -16.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -215.716078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.716078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.835748 (E_RNA)
where:
Base-Base interactions energy: -146.350
where: short stacking energy: -62.681
Base-Backbone interact. energy: -0.000
local terms energy: -69.485172
where:
bonds (distance) C4'-P energy: -13.265
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -16.755
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: 4
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -220.044009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.044009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.108504 (E_RNA)
where:
Base-Base interactions energy: -160.725
where: short stacking energy: -63.234
Base-Backbone interact. energy: -0.339
local terms energy: -59.044582
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -13.970
flat angles C4'-P-C4' energy: -10.492
flat angles P-C4'-P energy: -5.819
tors. eta vs tors. theta energy: -14.545
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: 403
Temperature: 1.050000
Total energy: -208.595907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.595907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.799027 (E_RNA)
where:
Base-Base interactions energy: -145.705
where: short stacking energy: -59.518
Base-Backbone interact. energy: -0.302
local terms energy: -62.791826
where:
bonds (distance) C4'-P energy: -9.405
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -6.761
tors. eta vs tors. theta energy: -19.420
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: 7
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -205.702501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.702501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.789515 (E_RNA)
where:
Base-Base interactions energy: -144.703
where: short stacking energy: -58.775
Base-Backbone interact. energy: 0.102
local terms energy: -61.189038
where:
bonds (distance) C4'-P energy: -9.408
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -16.880
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: 9
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -202.813314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.813314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.876760 (E_RNA)
where:
Base-Base interactions energy: -143.165
where: short stacking energy: -56.926
Base-Backbone interact. energy: -0.577
local terms energy: -59.134754
where:
bonds (distance) C4'-P energy: -9.642
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -14.681
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: 6
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -200.057675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.057675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.365654 (E_RNA)
where:
Base-Base interactions energy: -141.953
where: short stacking energy: -59.648
Base-Backbone interact. energy: -0.304
local terms energy: -58.108680
where:
bonds (distance) C4'-P energy: -9.581
bonds (distance) P-C4' energy: -11.403
flat angles C4'-P-C4' energy: -12.680
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -14.582
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: 8, replica: 5
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -191.193608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.193608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.530431 (E_RNA)
where:
Base-Base interactions energy: -136.703
where: short stacking energy: -58.588
Base-Backbone interact. energy: -0.286
local terms energy: -62.541426
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -12.285
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -16.106
Dist. restrs. and SS energy: 8.337 (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: 10
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -194.707161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.707161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.746988 (E_RNA)
where:
Base-Base interactions energy: -143.625
where: short stacking energy: -61.954
Base-Backbone interact. energy: -0.065
local terms energy: -51.056714
where:
bonds (distance) C4'-P energy: -10.179
bonds (distance) P-C4' energy: -9.829
flat angles C4'-P-C4' energy: -11.614
flat angles P-C4'-P energy: -4.329
tors. eta vs tors. theta energy: -15.105
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: 8
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -192.252823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.252823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.597139 (E_RNA)
where:
Base-Base interactions energy: -135.730
where: short stacking energy: -54.550
Base-Backbone interact. energy: -0.569
local terms energy: -56.298097
where:
bonds (distance) C4'-P energy: -8.592
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -12.032
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -9.506
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: 1, replica: 3
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -226.213174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.213174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.329488 (E_RNA)
where:
Base-Base interactions energy: -157.703
where: short stacking energy: -65.300
Base-Backbone interact. energy: -0.002
local terms energy: -68.624498
where:
bonds (distance) C4'-P energy: -15.402
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -4.964
tors. eta vs tors. theta energy: -17.911
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -210.715248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.715248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.745780 (E_RNA)
where:
Base-Base interactions energy: -146.371
where: short stacking energy: -61.887
Base-Backbone interact. energy: -0.043
local terms energy: -64.331629
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -17.036
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -225.335114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.335114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.335114 (E_RNA)
where:
Base-Base interactions energy: -161.161
where: short stacking energy: -67.252
Base-Backbone interact. energy: -0.010
local terms energy: -64.164664
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -12.508
flat angles P-C4'-P energy: -6.119
tors. eta vs tors. theta energy: -17.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -209.978750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.978750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.155450 (E_RNA)
where:
Base-Base interactions energy: -145.129
where: short stacking energy: -59.150
Base-Backbone interact. energy: -0.000
local terms energy: -65.025708
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -13.860
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: 9
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -219.652532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.652532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.728766 (E_RNA)
where:
Base-Base interactions energy: -154.807
where: short stacking energy: -58.537
Base-Backbone interact. energy: -0.055
local terms energy: -64.866826
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -15.627
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -207.441320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.441320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.445349 (E_RNA)
where:
Base-Base interactions energy: -148.969
where: short stacking energy: -59.359
Base-Backbone interact. energy: -0.058
local terms energy: -58.418364
where:
bonds (distance) C4'-P energy: -10.281
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -9.141
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -14.880
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -197.061404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.061404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.349568 (E_RNA)
where:
Base-Base interactions energy: -142.762
where: short stacking energy: -61.345
Base-Backbone interact. energy: -0.003
local terms energy: -62.584957
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -13.677
flat angles P-C4'-P energy: -6.071
tors. eta vs tors. theta energy: -16.873
Dist. restrs. and SS energy: 8.288 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -198.627853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.627853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.644563 (E_RNA)
where:
Base-Base interactions energy: -142.996
where: short stacking energy: -56.192
Base-Backbone interact. energy: -0.080
local terms energy: -55.568995
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -8.473
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -13.974
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: 404
Temperature: 1.300000
Total energy: -193.822592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.822592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.035176 (E_RNA)
where:
Base-Base interactions energy: -128.769
where: short stacking energy: -49.271
Base-Backbone interact. energy: -0.575
local terms energy: -64.691492
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -13.404
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -12.598
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: 404
Temperature: 1.350000
Total energy: -197.892223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.892223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.932917 (E_RNA)
where:
Base-Base interactions energy: -142.206
where: short stacking energy: -56.903
Base-Backbone interact. energy: -0.214
local terms energy: -55.512705
where:
bonds (distance) C4'-P energy: -7.935
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -9.707
flat angles P-C4'-P energy: -8.524
tors. eta vs tors. theta energy: -16.154
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -224.712834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.712834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.796565 (E_RNA)
where:
Base-Base interactions energy: -157.847
where: short stacking energy: -63.159
Base-Backbone interact. energy: -0.005
local terms energy: -66.943772
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -12.050
flat angles P-C4'-P energy: -8.203
tors. eta vs tors. theta energy: -18.125
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: 405
Temperature: 0.950000
Total energy: -218.422803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.422803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.579771 (E_RNA)
where:
Base-Base interactions energy: -149.344
where: short stacking energy: -64.963
Base-Backbone interact. energy: 0.177
local terms energy: -69.413027
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -18.067
Dist. restrs. and SS energy: 0.157 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -214.490607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.490607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.535654 (E_RNA)
where:
Base-Base interactions energy: -145.992
where: short stacking energy: -60.122
Base-Backbone interact. energy: -0.000
local terms energy: -68.543189
where:
bonds (distance) C4'-P energy: -13.626
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -14.073
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -217.637821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.637821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.679521 (E_RNA)
where:
Base-Base interactions energy: -158.469
where: short stacking energy: -65.640
Base-Backbone interact. energy: -0.042
local terms energy: -59.168977
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -9.913
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: -14.887
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -209.201321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.201321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.263657 (E_RNA)
where:
Base-Base interactions energy: -151.810
where: short stacking energy: -65.776
Base-Backbone interact. energy: -0.021
local terms energy: -57.432753
where:
bonds (distance) C4'-P energy: -9.126
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -10.456
flat angles P-C4'-P energy: -6.241
tors. eta vs tors. theta energy: -16.656
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: 405
Temperature: 1.150000
Total energy: -207.848614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.848614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.936766 (E_RNA)
where:
Base-Base interactions energy: -144.379
where: short stacking energy: -58.145
Base-Backbone interact. energy: -0.042
local terms energy: -63.515979
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -14.552
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -184.630148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.630148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.613888 (E_RNA)
where:
Base-Base interactions energy: -134.036
where: short stacking energy: -56.431
Base-Backbone interact. energy: -0.147
local terms energy: -58.431238
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -9.867
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -14.793
Dist. restrs. and SS energy: 7.984 (S_DIST_RNA)
chem. 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: -197.358765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.358765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.367856 (E_RNA)
where:
Base-Base interactions energy: -136.084
where: short stacking energy: -49.504
Base-Backbone interact. energy: -0.069
local terms energy: -61.214925
where:
bonds (distance) C4'-P energy: -9.027
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -11.610
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: 6
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -195.993069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.993069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.157638 (E_RNA)
where:
Base-Base interactions energy: -141.504
where: short stacking energy: -54.100
Base-Backbone interact. energy: -0.166
local terms energy: -54.487324
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -9.934
flat angles C4'-P-C4' energy: -11.807
flat angles P-C4'-P energy: -5.750
tors. eta vs tors. theta energy: -13.706
Dist. restrs. and SS energy: 0.165 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -197.915295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.915295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.962818 (E_RNA)
where:
Base-Base interactions energy: -140.763
where: short stacking energy: -56.927
Base-Backbone interact. energy: -0.159
local terms energy: -57.040422
where:
bonds (distance) C4'-P energy: -7.031
bonds (distance) P-C4' energy: -12.422
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -12.559
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -218.537402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.537402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.537402 (E_RNA)
where:
Base-Base interactions energy: -150.439
where: short stacking energy: -58.681
Base-Backbone interact. energy: -0.004
local terms energy: -68.094987
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -13.824
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -233.234667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.234667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.244156 (E_RNA)
where:
Base-Base interactions energy: -173.740
where: short stacking energy: -74.071
Base-Backbone interact. energy: -0.074
local terms energy: -59.430136
where:
bonds (distance) C4'-P energy: -9.648
bonds (distance) P-C4' energy: -12.894
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -3.467
tors. eta vs tors. theta energy: -17.883
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: 406
Temperature: 1.000000
Total energy: -211.325228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.325228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.325228 (E_RNA)
where:
Base-Base interactions energy: -144.421
where: short stacking energy: -56.086
Base-Backbone interact. energy: -0.329
local terms energy: -66.575027
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -11.219
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -17.271
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -221.013700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.013700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.112055 (E_RNA)
where:
Base-Base interactions energy: -158.706
where: short stacking energy: -61.813
Base-Backbone interact. energy: 0.241
local terms energy: -62.647165
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -13.132
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -6.948
tors. eta vs tors. theta energy: -16.545
Dist. restrs. and SS energy: 0.098 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -208.013374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.013374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.039991 (E_RNA)
where:
Base-Base interactions energy: -144.775
where: short stacking energy: -57.064
Base-Backbone interact. energy: 0.025
local terms energy: -63.290623
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -11.098
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -14.779
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -208.822788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.822788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.840606 (E_RNA)
where:
Base-Base interactions energy: -151.966
where: short stacking energy: -64.468
Base-Backbone interact. energy: -0.122
local terms energy: -56.752479
where:
bonds (distance) C4'-P energy: -8.646
bonds (distance) P-C4' energy: -11.908
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -15.383
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: 8
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -203.010483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.010483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.094178 (E_RNA)
where:
Base-Base interactions energy: -143.073
where: short stacking energy: -60.082
Base-Backbone interact. energy: -0.018
local terms energy: -60.003437
where:
bonds (distance) C4'-P energy: -6.933
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -16.726
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: 5
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -179.185586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.185586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.114298 (E_RNA)
where:
Base-Base interactions energy: -133.244
where: short stacking energy: -57.505
Base-Backbone interact. energy: 0.495
local terms energy: -53.364554
where:
bonds (distance) C4'-P energy: -7.972
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -5.299
tors. eta vs tors. theta energy: -13.148
Dist. restrs. and SS energy: 6.929 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -188.624117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.624117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.203413 (E_RNA)
where:
Base-Base interactions energy: -133.660
where: short stacking energy: -55.462
Base-Backbone interact. energy: -0.038
local terms energy: -55.504890
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -10.096
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -4.280
tors. eta vs tors. theta energy: -13.473
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: 6
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -194.649022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.649022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.649022 (E_RNA)
where:
Base-Base interactions energy: -138.317
where: short stacking energy: -54.099
Base-Backbone interact. energy: -0.030
local terms energy: -56.301384
where:
bonds (distance) C4'-P energy: -3.107
bonds (distance) P-C4' energy: -14.293
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -17.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -217.177812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.177812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.177812 (E_RNA)
where:
Base-Base interactions energy: -154.031
where: short stacking energy: -63.569
Base-Backbone interact. energy: -0.003
local terms energy: -63.144415
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -14.221
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -218.442456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.442456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.442456 (E_RNA)
where:
Base-Base interactions energy: -150.945
where: short stacking energy: -66.705
Base-Backbone interact. energy: -0.043
local terms energy: -67.454544
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -11.638
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -18.007
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -213.808783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.808783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.808783 (E_RNA)
where:
Base-Base interactions energy: -150.720
where: short stacking energy: -63.444
Base-Backbone interact. energy: -0.042
local terms energy: -63.046819
where:
bonds (distance) C4'-P energy: -9.362
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -15.631
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -210.176373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.176373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.345785 (E_RNA)
where:
Base-Base interactions energy: -147.596
where: short stacking energy: -63.058
Base-Backbone interact. energy: -0.002
local terms energy: -62.748190
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -9.731
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -18.225
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: 7
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -209.054877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.054877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.250468 (E_RNA)
where:
Base-Base interactions energy: -147.746
where: short stacking energy: -61.220
Base-Backbone interact. energy: -0.395
local terms energy: -61.109152
where:
bonds (distance) C4'-P energy: -7.958
bonds (distance) P-C4' energy: -9.767
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -12.792
tors. eta vs tors. theta energy: -16.110
Dist. restrs. and SS energy: 0.196 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -208.994830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.994830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.040827 (E_RNA)
where:
Base-Base interactions energy: -146.659
where: short stacking energy: -60.462
Base-Backbone interact. energy: -0.219
local terms energy: -62.162219
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -12.473
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -8.215
tors. eta vs tors. theta energy: -15.099
Dist. restrs. and SS energy: 0.046 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -203.746423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.746423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.805624 (E_RNA)
where:
Base-Base interactions energy: -139.548
where: short stacking energy: -60.781
Base-Backbone interact. energy: -0.001
local terms energy: -64.256074
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: -18.510
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: 10
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -202.962757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.962757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.984471 (E_RNA)
where:
Base-Base interactions energy: -143.005
where: short stacking energy: -60.926
Base-Backbone interact. energy: -0.002
local terms energy: -59.977254
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -9.503
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -13.021
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -187.092687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.092687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.557529 (E_RNA)
where:
Base-Base interactions energy: -136.283
where: short stacking energy: -55.525
Base-Backbone interact. energy: -0.021
local terms energy: -58.253987
where:
bonds (distance) C4'-P energy: -12.135
bonds (distance) P-C4' energy: -11.397
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -14.780
Dist. restrs. and SS energy: 7.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -198.310847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.310847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.529562 (E_RNA)
where:
Base-Base interactions energy: -134.911
where: short stacking energy: -52.461
Base-Backbone interact. energy: -0.005
local terms energy: -63.614041
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -6.084
tors. eta vs tors. theta energy: -14.468
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: 3
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -214.041362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.041362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.120130 (E_RNA)
where:
Base-Base interactions energy: -149.792
where: short stacking energy: -60.943
Base-Backbone interact. energy: -0.157
local terms energy: -64.171196
where:
bonds (distance) C4'-P energy: -10.705
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -15.803
Dist. restrs. and SS energy: 0.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -220.688270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.688270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.831110 (E_RNA)
where:
Base-Base interactions energy: -155.550
where: short stacking energy: -65.942
Base-Backbone interact. energy: -0.004
local terms energy: -65.276984
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -15.823
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: 1
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -223.332992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.332992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.408125 (E_RNA)
where:
Base-Base interactions energy: -165.258
where: short stacking energy: -68.263
Base-Backbone interact. energy: 0.044
local terms energy: -58.193577
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -13.235
flat angles C4'-P-C4' energy: -7.683
flat angles P-C4'-P energy: -4.298
tors. eta vs tors. theta energy: -18.938
Dist. restrs. and SS energy: 0.075 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -210.768569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.768569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.801430 (E_RNA)
where:
Base-Base interactions energy: -148.677
where: short stacking energy: -65.452
Base-Backbone interact. energy: -0.031
local terms energy: -62.093194
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -12.792
flat angles C4'-P-C4' energy: -9.134
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -18.450
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -207.362558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.362558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.529305 (E_RNA)
where:
Base-Base interactions energy: -141.630
where: short stacking energy: -56.958
Base-Backbone interact. energy: -0.280
local terms energy: -65.619669
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -11.488
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -15.044
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: 408
Temperature: 1.150000
Total energy: -204.619838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.619838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.619838 (E_RNA)
where:
Base-Base interactions energy: -144.190
where: short stacking energy: -58.666
Base-Backbone interact. energy: -0.003
local terms energy: -60.427248
where:
bonds (distance) C4'-P energy: -8.940
bonds (distance) P-C4' energy: -10.951
flat angles C4'-P-C4' energy: -12.643
flat angles P-C4'-P energy: -11.368
tors. eta vs tors. theta energy: -16.525
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -208.588952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.588952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.820938 (E_RNA)
where:
Base-Base interactions energy: -152.394
where: short stacking energy: -61.228
Base-Backbone interact. energy: -0.187
local terms energy: -56.239287
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -10.817
flat angles P-C4'-P energy: -2.973
tors. eta vs tors. theta energy: -16.115
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: 8, replica: 8
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -209.448272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.448272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.452729 (E_RNA)
where:
Base-Base interactions energy: -147.281
where: short stacking energy: -54.479
Base-Backbone interact. energy: -0.000
local terms energy: -62.171279
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -8.277
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -17.934
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: 6
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -195.370338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.370338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.466666 (E_RNA)
where:
Base-Base interactions energy: -140.098
where: short stacking energy: -56.932
Base-Backbone interact. energy: -0.323
local terms energy: -55.045898
where:
bonds (distance) C4'-P energy: -8.636
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -11.389
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -15.250
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: 5
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -174.980289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.980289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.181898 (E_RNA)
where:
Base-Base interactions energy: -129.813
where: short stacking energy: -56.113
Base-Backbone interact. energy: -0.583
local terms energy: -52.785715
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -9.738
flat angles C4'-P-C4' energy: -11.383
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -12.970
Dist. restrs. and SS energy: 8.202 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -220.014933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.014933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.072426 (E_RNA)
where:
Base-Base interactions energy: -155.419
where: short stacking energy: -60.626
Base-Backbone interact. energy: -0.015
local terms energy: -64.638390
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -15.828
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: 1
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -211.827111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.827111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.827111 (E_RNA)
where:
Base-Base interactions energy: -147.603
where: short stacking energy: -57.516
Base-Backbone interact. energy: -0.086
local terms energy: -64.137642
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -13.147
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -14.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -222.223571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.223571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.265221 (E_RNA)
where:
Base-Base interactions energy: -158.477
where: short stacking energy: -64.498
Base-Backbone interact. energy: -0.000
local terms energy: -63.787699
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -5.586
tors. eta vs tors. theta energy: -16.336
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: 4
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -210.060589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.060589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.154318 (E_RNA)
where:
Base-Base interactions energy: -139.632
where: short stacking energy: -53.138
Base-Backbone interact. energy: -0.416
local terms energy: -70.106908
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -14.268
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -15.227
Dist. restrs. and SS energy: 0.094 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -210.204974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.204974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.288788 (E_RNA)
where:
Base-Base interactions energy: -156.855
where: short stacking energy: -58.182
Base-Backbone interact. energy: -0.004
local terms energy: -53.429544
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -8.058
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -5.168
tors. eta vs tors. theta energy: -14.649
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: 409
Temperature: 1.150000
Total energy: -211.163447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.163447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.247440 (E_RNA)
where:
Base-Base interactions energy: -147.031
where: short stacking energy: -64.895
Base-Backbone interact. energy: -0.067
local terms energy: -64.149621
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -10.912
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -16.318
Dist. restrs. and SS energy: 0.084 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -200.080578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.080578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.209996 (E_RNA)
where:
Base-Base interactions energy: -135.553
where: short stacking energy: -49.349
Base-Backbone interact. energy: -0.176
local terms energy: -64.480846
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -12.131
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -16.494
Dist. restrs. and SS energy: 0.129 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -198.892287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.892287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.040443 (E_RNA)
where:
Base-Base interactions energy: -136.095
where: short stacking energy: -51.366
Base-Backbone interact. energy: -0.047
local terms energy: -62.899116
where:
bonds (distance) C4'-P energy: -4.474
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -16.650
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: 8
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -194.090499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.090499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.199777 (E_RNA)
where:
Base-Base interactions energy: -135.458
where: short stacking energy: -56.428
Base-Backbone interact. energy: 1.651
local terms energy: -60.392293
where:
bonds (distance) C4'-P energy: -9.090
bonds (distance) P-C4' energy: -11.921
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -8.775
tors. eta vs tors. theta energy: -16.866
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -170.712951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.712951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.494214 (E_RNA)
where:
Base-Base interactions energy: -117.858
where: short stacking energy: -54.560
Base-Backbone interact. energy: -0.839
local terms energy: -60.796317
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -9.463
flat angles C4'-P-C4' energy: -12.291
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -16.148
Dist. restrs. and SS energy: 8.781 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -216.445642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.445642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.531992 (E_RNA)
where:
Base-Base interactions energy: -148.617
where: short stacking energy: -65.121
Base-Backbone interact. energy: -0.003
local terms energy: -67.912640
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -11.809
flat angles P-C4'-P energy: -10.478
tors. eta vs tors. theta energy: -17.660
Dist. restrs. and SS energy: 0.086 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -215.037658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.037658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.066178 (E_RNA)
where:
Base-Base interactions energy: -153.492
where: short stacking energy: -55.934
Base-Backbone interact. energy: -0.256
local terms energy: -61.317487
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -4.253
tors. eta vs tors. theta energy: -14.564
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -214.699261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.699261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.732240 (E_RNA)
where:
Base-Base interactions energy: -151.719
where: short stacking energy: -58.521
Base-Backbone interact. energy: -0.003
local terms energy: -63.010594
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -13.970
flat angles P-C4'-P energy: -5.675
tors. eta vs tors. theta energy: -17.613
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -211.776963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.776963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.776963 (E_RNA)
where:
Base-Base interactions energy: -144.412
where: short stacking energy: -60.427
Base-Backbone interact. energy: -0.001
local terms energy: -67.363788
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -17.477
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -206.589047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.589047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.622475 (E_RNA)
where:
Base-Base interactions energy: -141.422
where: short stacking energy: -58.695
Base-Backbone interact. energy: -0.211
local terms energy: -64.990200
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -12.213
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -9.008
tors. eta vs tors. theta energy: -19.548
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -215.719328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.719328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.861695 (E_RNA)
where:
Base-Base interactions energy: -158.414
where: short stacking energy: -62.814
Base-Backbone interact. energy: -0.313
local terms energy: -57.135034
where:
bonds (distance) C4'-P energy: -8.422
bonds (distance) P-C4' energy: -11.932
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -5.748
tors. eta vs tors. theta energy: -17.228
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -198.656311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.656311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.759565 (E_RNA)
where:
Base-Base interactions energy: -134.188
where: short stacking energy: -53.806
Base-Backbone interact. energy: -0.111
local terms energy: -64.460453
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -11.766
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -13.980
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: 9
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -203.768223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.768223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.888824 (E_RNA)
where:
Base-Base interactions energy: -139.101
where: short stacking energy: -52.538
Base-Backbone interact. energy: -0.340
local terms energy: -64.448411
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -13.571
Dist. restrs. and SS energy: 0.121 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -170.807298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.807298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.960412 (E_RNA)
where:
Base-Base interactions energy: -119.377
where: short stacking energy: -49.888
Base-Backbone interact. energy: -0.161
local terms energy: -59.423257
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -5.878
tors. eta vs tors. theta energy: -13.303
Dist. restrs. and SS energy: 8.153 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -189.924685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.924685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.159625 (E_RNA)
where:
Base-Base interactions energy: -135.917
where: short stacking energy: -52.706
Base-Backbone interact. energy: -0.197
local terms energy: -54.045845
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -10.005
flat angles P-C4'-P energy: -8.089
tors. eta vs tors. theta energy: -9.967
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: 1, replica: 1
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -220.307261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.307261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.358309 (E_RNA)
where:
Base-Base interactions energy: -152.819
where: short stacking energy: -63.175
Base-Backbone interact. energy: -0.106
local terms energy: -67.433478
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -16.027
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: 411
Temperature: 0.950000
Total energy: -228.523936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.523936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.523936 (E_RNA)
where:
Base-Base interactions energy: -168.854
where: short stacking energy: -64.808
Base-Backbone interact. energy: -0.053
local terms energy: -59.617586
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -12.431
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -4.648
tors. eta vs tors. theta energy: -16.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -216.323662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.323662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.478075 (E_RNA)
where:
Base-Base interactions energy: -159.370
where: short stacking energy: -61.879
Base-Backbone interact. energy: 0.326
local terms energy: -57.434824
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -11.137
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -2.951
tors. eta vs tors. theta energy: -17.335
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -210.075748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.075748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.242845 (E_RNA)
where:
Base-Base interactions energy: -146.880
where: short stacking energy: -59.404
Base-Backbone interact. energy: -0.009
local terms energy: -63.353295
where:
bonds (distance) C4'-P energy: -11.722
bonds (distance) P-C4' energy: -11.446
flat angles C4'-P-C4' energy: -13.715
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -15.323
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: 5, replica: 10
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -208.469049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.469049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.599481 (E_RNA)
where:
Base-Base interactions energy: -145.628
where: short stacking energy: -59.813
Base-Backbone interact. energy: -0.285
local terms energy: -62.685961
where:
bonds (distance) C4'-P energy: -12.352
bonds (distance) P-C4' energy: -11.919
flat angles C4'-P-C4' energy: -12.745
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -15.796
Dist. restrs. and SS energy: 0.130 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -201.630205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.630205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.630205 (E_RNA)
where:
Base-Base interactions energy: -139.928
where: short stacking energy: -53.505
Base-Backbone interact. energy: -0.264
local terms energy: -61.438795
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -11.881
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -11.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -199.157909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.157909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.171878 (E_RNA)
where:
Base-Base interactions energy: -140.948
where: short stacking energy: -53.711
Base-Backbone interact. energy: -0.203
local terms energy: -58.020638
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -11.552
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -5.876
tors. eta vs tors. theta energy: -13.421
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: 411
Temperature: 1.250000
Total energy: -202.244941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.244941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.294580 (E_RNA)
where:
Base-Base interactions energy: -139.822
where: short stacking energy: -55.794
Base-Backbone interact. energy: -0.253
local terms energy: -62.218944
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -10.088
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -17.026
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -171.984870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.984870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.472929 (E_RNA)
where:
Base-Base interactions energy: -122.676
where: short stacking energy: -58.569
Base-Backbone interact. energy: -0.394
local terms energy: -55.402837
where:
bonds (distance) C4'-P energy: -7.362
bonds (distance) P-C4' energy: -9.582
flat angles C4'-P-C4' energy: -11.017
flat angles P-C4'-P energy: -11.916
tors. eta vs tors. theta energy: -15.526
Dist. restrs. and SS energy: 6.488 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -196.533349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.533349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.753808 (E_RNA)
where:
Base-Base interactions energy: -131.016
where: short stacking energy: -47.676
Base-Backbone interact. energy: -0.032
local terms energy: -65.706126
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -6.468
tors. eta vs tors. theta energy: -12.127
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: 2
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -222.861137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.861137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.981285 (E_RNA)
where:
Base-Base interactions energy: -150.644
where: short stacking energy: -64.111
Base-Backbone interact. energy: -0.100
local terms energy: -72.237596
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -13.447
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -17.875
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: 2, replica: 1
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -222.527454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.527454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.527454 (E_RNA)
where:
Base-Base interactions energy: -158.650
where: short stacking energy: -63.989
Base-Backbone interact. energy: 0.149
local terms energy: -64.026363
where:
bonds (distance) C4'-P energy: -13.013
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -16.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -213.484034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.484034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.502371 (E_RNA)
where:
Base-Base interactions energy: -149.840
where: short stacking energy: -63.992
Base-Backbone interact. energy: -0.035
local terms energy: -63.626741
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -10.242
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -17.683
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: 3
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -214.524746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.524746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.568987 (E_RNA)
where:
Base-Base interactions energy: -157.750
where: short stacking energy: -62.440
Base-Backbone interact. energy: -0.008
local terms energy: -56.811936
where:
bonds (distance) C4'-P energy: -9.709
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -5.625
tors. eta vs tors. theta energy: -12.950
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -213.213704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.213704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.252752 (E_RNA)
where:
Base-Base interactions energy: -148.805
where: short stacking energy: -67.353
Base-Backbone interact. energy: -0.233
local terms energy: -64.215095
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -8.025
tors. eta vs tors. theta energy: -18.524
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -200.869514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.869514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.041018 (E_RNA)
where:
Base-Base interactions energy: -134.270
where: short stacking energy: -51.163
Base-Backbone interact. energy: -0.046
local terms energy: -66.725715
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -12.999
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: 9
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -200.241262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.241262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.433548 (E_RNA)
where:
Base-Base interactions energy: -136.938
where: short stacking energy: -53.878
Base-Backbone interact. energy: -0.101
local terms energy: -63.394600
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -15.415
flat angles C4'-P-C4' energy: -13.233
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: -15.993
Dist. restrs. and SS energy: 0.192 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -197.384193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.384193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.550584 (E_RNA)
where:
Base-Base interactions energy: -143.475
where: short stacking energy: -57.397
Base-Backbone interact. energy: -0.614
local terms energy: -53.462098
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -10.259
flat angles C4'-P-C4' energy: -11.157
flat angles P-C4'-P energy: -3.047
tors. eta vs tors. theta energy: -15.501
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -203.743388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.743388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.786666 (E_RNA)
where:
Base-Base interactions energy: -143.125
where: short stacking energy: -56.226
Base-Backbone interact. energy: 0.073
local terms energy: -60.734571
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -10.990
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -8.943
tors. eta vs tors. theta energy: -15.656
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: 412
Temperature: 1.350000
Total energy: -169.441830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.441830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.144093 (E_RNA)
where:
Base-Base interactions energy: -125.562
where: short stacking energy: -51.081
Base-Backbone interact. energy: -0.023
local terms energy: -52.559444
where:
bonds (distance) C4'-P energy: -9.703
bonds (distance) P-C4' energy: -10.107
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -11.218
Dist. restrs. and SS energy: 8.702 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -221.693677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.693677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.745033 (E_RNA)
where:
Base-Base interactions energy: -159.027
where: short stacking energy: -61.668
Base-Backbone interact. energy: 0.598
local terms energy: -63.316208
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -13.035
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: -6.864
tors. eta vs tors. theta energy: -16.856
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -224.168000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.168000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.196607 (E_RNA)
where:
Base-Base interactions energy: -158.781
where: short stacking energy: -61.820
Base-Backbone interact. energy: -0.202
local terms energy: -65.214195
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -6.259
tors. eta vs tors. theta energy: -18.986
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: 413
Temperature: 1.000000
Total energy: -220.135334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.135334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.478320 (E_RNA)
where:
Base-Base interactions energy: -158.237
where: short stacking energy: -61.910
Base-Backbone interact. energy: -0.001
local terms energy: -62.240299
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -11.965
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: -15.343
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: 4, replica: 3
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -220.384181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.384181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.384181 (E_RNA)
where:
Base-Base interactions energy: -164.070
where: short stacking energy: -64.826
Base-Backbone interact. energy: -0.517
local terms energy: -55.797684
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -10.172
flat angles P-C4'-P energy: -3.764
tors. eta vs tors. theta energy: -14.393
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: 5, replica: 10
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -217.048770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.048770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.063781 (E_RNA)
where:
Base-Base interactions energy: -150.379
where: short stacking energy: -66.122
Base-Backbone interact. energy: -0.001
local terms energy: -66.683412
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -14.176
flat angles P-C4'-P energy: -6.173
tors. eta vs tors. theta energy: -20.100
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: 6
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -209.104733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.104733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.229350 (E_RNA)
where:
Base-Base interactions energy: -143.843
where: short stacking energy: -59.373
Base-Backbone interact. energy: -0.758
local terms energy: -64.628689
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -8.378
tors. eta vs tors. theta energy: -15.850
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: 7, replica: 9
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -205.462783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.462783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.462783 (E_RNA)
where:
Base-Base interactions energy: -143.293
where: short stacking energy: -54.141
Base-Backbone interact. energy: -0.113
local terms energy: -62.056918
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -9.849
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -15.194
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -205.040625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.040625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.195083 (E_RNA)
where:
Base-Base interactions energy: -145.004
where: short stacking energy: -62.371
Base-Backbone interact. energy: -0.003
local terms energy: -60.188845
where:
bonds (distance) C4'-P energy: -11.787
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -8.910
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -16.163
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: 7
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -204.814290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.814290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.085171 (E_RNA)
where:
Base-Base interactions energy: -141.241
where: short stacking energy: -54.970
Base-Backbone interact. energy: -0.038
local terms energy: -63.806623
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -15.279
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -14.769
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: 10, replica: 5
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -181.174850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.174850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.754097 (E_RNA)
where:
Base-Base interactions energy: -133.065
where: short stacking energy: -55.171
Base-Backbone interact. energy: -1.502
local terms energy: -54.187134
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -8.396
flat angles C4'-P-C4' energy: -9.620
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -15.178
Dist. restrs. and SS energy: 7.579 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -224.453794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.453794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.472657 (E_RNA)
where:
Base-Base interactions energy: -155.015
where: short stacking energy: -65.946
Base-Backbone interact. energy: -0.002
local terms energy: -69.455278
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -17.393
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -216.003864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.003864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.033842 (E_RNA)
where:
Base-Base interactions energy: -155.926
where: short stacking energy: -61.436
Base-Backbone interact. energy: -0.295
local terms energy: -59.812554
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -3.582
tors. eta vs tors. theta energy: -17.786
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -224.291136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.291136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.353225 (E_RNA)
where:
Base-Base interactions energy: -160.980
where: short stacking energy: -64.472
Base-Backbone interact. energy: -0.004
local terms energy: -63.368551
where:
bonds (distance) C4'-P energy: -11.631
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -4.031
tors. eta vs tors. theta energy: -17.986
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -206.421121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.421121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.506617 (E_RNA)
where:
Base-Base interactions energy: -146.680
where: short stacking energy: -50.706
Base-Backbone interact. energy: -0.059
local terms energy: -59.767808
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: -9.593
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: 6
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -208.701579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.701579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.113750 (E_RNA)
where:
Base-Base interactions energy: -141.096
where: short stacking energy: -56.591
Base-Backbone interact. energy: -0.238
local terms energy: -67.779722
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: -16.102
Dist. restrs. and SS energy: 0.412 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -196.581040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.581040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.620433 (E_RNA)
where:
Base-Base interactions energy: -139.338
where: short stacking energy: -49.691
Base-Backbone interact. energy: -0.325
local terms energy: -56.956856
where:
bonds (distance) C4'-P energy: -9.462
bonds (distance) P-C4' energy: -11.360
flat angles C4'-P-C4' energy: -14.380
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: -14.246
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -196.526094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.526094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.526571 (E_RNA)
where:
Base-Base interactions energy: -141.907
where: short stacking energy: -59.385
Base-Backbone interact. energy: 0.019
local terms energy: -54.638625
where:
bonds (distance) C4'-P energy: -11.411
bonds (distance) P-C4' energy: -12.306
flat angles C4'-P-C4' energy: -9.071
flat angles P-C4'-P energy: -6.582
tors. eta vs tors. theta energy: -15.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -197.974738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.974738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.015971 (E_RNA)
where:
Base-Base interactions energy: -138.340
where: short stacking energy: -58.527
Base-Backbone interact. energy: -0.161
local terms energy: -59.515109
where:
bonds (distance) C4'-P energy: -8.306
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -6.591
tors. eta vs tors. theta energy: -17.098
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -178.803468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.803468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.915928 (E_RNA)
where:
Base-Base interactions energy: -128.364
where: short stacking energy: -49.705
Base-Backbone interact. energy: -0.002
local terms energy: -57.550090
where:
bonds (distance) C4'-P energy: -11.331
bonds (distance) P-C4' energy: -9.577
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -15.769
Dist. restrs. and SS energy: 7.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -188.233387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.233387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.344911 (E_RNA)
where:
Base-Base interactions energy: -137.636
where: short stacking energy: -56.049
Base-Backbone interact. energy: -0.126
local terms energy: -50.583050
where:
bonds (distance) C4'-P energy: -9.005
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -10.383
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -9.653
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: 415
Temperature: 0.900000
Total energy: -226.271179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.271179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.484065 (E_RNA)
where:
Base-Base interactions energy: -163.217
where: short stacking energy: -65.105
Base-Backbone interact. energy: -0.652
local terms energy: -62.614916
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: -16.693
Dist. restrs. and SS energy: 0.213 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -227.061571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.061571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.098637 (E_RNA)
where:
Base-Base interactions energy: -163.749
where: short stacking energy: -65.130
Base-Backbone interact. energy: -0.009
local terms energy: -63.339734
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -6.446
tors. eta vs tors. theta energy: -15.935
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: 415
Temperature: 1.000000
Total energy: -204.560737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.560737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.571849 (E_RNA)
where:
Base-Base interactions energy: -146.467
where: short stacking energy: -57.425
Base-Backbone interact. energy: 0.988
local terms energy: -59.092389
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -10.471
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: -16.651
Dist. restrs. and SS energy: 0.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -213.371695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.371695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.371695 (E_RNA)
where:
Base-Base interactions energy: -155.171
where: short stacking energy: -58.370
Base-Backbone interact. energy: -0.072
local terms energy: -58.129651
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -8.690
flat angles C4'-P-C4' energy: -11.968
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -14.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -207.576240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.576240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.742529 (E_RNA)
where:
Base-Base interactions energy: -151.028
where: short stacking energy: -63.431
Base-Backbone interact. energy: -0.002
local terms energy: -56.712395
where:
bonds (distance) C4'-P energy: -12.859
bonds (distance) P-C4' energy: -11.790
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -5.560
tors. eta vs tors. theta energy: -14.213
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -212.823732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.823732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.832715 (E_RNA)
where:
Base-Base interactions energy: -151.405
where: short stacking energy: -63.471
Base-Backbone interact. energy: -0.001
local terms energy: -61.426232
where:
bonds (distance) C4'-P energy: -7.807
bonds (distance) P-C4' energy: -11.226
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -19.592
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: 10
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -197.957662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.957662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.086599 (E_RNA)
where:
Base-Base interactions energy: -145.045
where: short stacking energy: -61.318
Base-Backbone interact. energy: -0.049
local terms energy: -52.992934
where:
bonds (distance) C4'-P energy: -9.180
bonds (distance) P-C4' energy: -7.594
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -5.607
tors. eta vs tors. theta energy: -16.265
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: 5
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -179.771614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.771614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.490785 (E_RNA)
where:
Base-Base interactions energy: -125.216
where: short stacking energy: -56.793
Base-Backbone interact. energy: -0.009
local terms energy: -62.266095
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -9.520
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -16.121
Dist. restrs. and SS energy: 7.719 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -187.603166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.603166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.644737 (E_RNA)
where:
Base-Base interactions energy: -133.745
where: short stacking energy: -48.301
Base-Backbone interact. energy: 0.672
local terms energy: -54.572095
where:
bonds (distance) C4'-P energy: -7.453
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -10.443
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -196.767313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.767313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.780731 (E_RNA)
where:
Base-Base interactions energy: -139.784
where: short stacking energy: -56.094
Base-Backbone interact. energy: -0.001
local terms energy: -56.996037
where:
bonds (distance) C4'-P energy: -10.559
bonds (distance) P-C4' energy: -11.855
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: -14.741
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -232.765379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.765379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.802931 (E_RNA)
where:
Base-Base interactions energy: -167.791
where: short stacking energy: -66.299
Base-Backbone interact. energy: -0.111
local terms energy: -64.901334
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -17.621
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -235.946642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.946642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.995005 (E_RNA)
where:
Base-Base interactions energy: -167.717
where: short stacking energy: -70.063
Base-Backbone interact. energy: -0.023
local terms energy: -68.255508
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -7.547
tors. eta vs tors. theta energy: -19.610
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: 416
Temperature: 1.000000
Total energy: -214.292950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.292950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.292950 (E_RNA)
where:
Base-Base interactions energy: -152.139
where: short stacking energy: -59.560
Base-Backbone interact. energy: -0.684
local terms energy: -61.470242
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -10.675
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -15.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -214.957288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.957288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.007029 (E_RNA)
where:
Base-Base interactions energy: -159.846
where: short stacking energy: -62.227
Base-Backbone interact. energy: -0.044
local terms energy: -55.117317
where:
bonds (distance) C4'-P energy: -9.386
bonds (distance) P-C4' energy: -11.507
flat angles C4'-P-C4' energy: -12.886
flat angles P-C4'-P energy: -3.705
tors. eta vs tors. theta energy: -17.634
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: 5, replica: 8
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -211.023181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.023181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.266592 (E_RNA)
where:
Base-Base interactions energy: -153.112
where: short stacking energy: -66.933
Base-Backbone interact. energy: -0.350
local terms energy: -57.804778
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -9.352
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -6.390
tors. eta vs tors. theta energy: -17.556
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: 6, replica: 3
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -197.387919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.387919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.647174 (E_RNA)
where:
Base-Base interactions energy: -136.608
where: short stacking energy: -56.860
Base-Backbone interact. energy: -0.006
local terms energy: -61.033801
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -12.706
flat angles C4'-P-C4' energy: -6.686
flat angles P-C4'-P energy: -11.310
tors. eta vs tors. theta energy: -17.220
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: 7, replica: 5
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -183.839639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.839639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.792239 (E_RNA)
where:
Base-Base interactions energy: -129.240
where: short stacking energy: -52.951
Base-Backbone interact. energy: -0.814
local terms energy: -61.738912
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -14.802
flat angles C4'-P-C4' energy: -11.071
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -13.329
Dist. restrs. and SS energy: 7.953 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -194.010797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.010797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.037095 (E_RNA)
where:
Base-Base interactions energy: -137.918
where: short stacking energy: -52.887
Base-Backbone interact. energy: -0.198
local terms energy: -55.921130
where:
bonds (distance) C4'-P energy: -8.842
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -13.380
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: 7
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -196.213089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.213089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.312866 (E_RNA)
where:
Base-Base interactions energy: -140.988
where: short stacking energy: -61.771
Base-Backbone interact. energy: -0.216
local terms energy: -55.108829
where:
bonds (distance) C4'-P energy: -6.508
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -5.622
tors. eta vs tors. theta energy: -14.268
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: 416
Temperature: 1.350000
Total energy: -191.553002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.553002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.660819 (E_RNA)
where:
Base-Base interactions energy: -140.587
where: short stacking energy: -57.782
Base-Backbone interact. energy: -0.007
local terms energy: -51.066815
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -8.904
flat angles C4'-P-C4' energy: -9.615
flat angles P-C4'-P energy: -7.134
tors. eta vs tors. theta energy: -15.680
Dist. restrs. and SS energy: 0.108 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -240.676296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.676296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.706629 (E_RNA)
where:
Base-Base interactions energy: -174.313
where: short stacking energy: -72.153
Base-Backbone interact. energy: -0.511
local terms energy: -65.883281
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -5.810
tors. eta vs tors. theta energy: -17.842
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -213.109613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.109613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.168267 (E_RNA)
where:
Base-Base interactions energy: -149.384
where: short stacking energy: -62.463
Base-Backbone interact. energy: -0.001
local terms energy: -63.782788
where:
bonds (distance) C4'-P energy: -8.687
bonds (distance) P-C4' energy: -12.954
flat angles C4'-P-C4' energy: -14.812
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -17.084
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: 417
Temperature: 1.000000
Total energy: -230.787351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.787351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.803046 (E_RNA)
where:
Base-Base interactions energy: -167.633
where: short stacking energy: -65.411
Base-Backbone interact. energy: -0.020
local terms energy: -63.149327
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -6.589
tors. eta vs tors. theta energy: -15.698
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: 417
Temperature: 1.050000
Total energy: -217.696849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.696849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.725591 (E_RNA)
where:
Base-Base interactions energy: -156.159
where: short stacking energy: -59.707
Base-Backbone interact. energy: -0.120
local terms energy: -61.446194
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -10.910
flat angles P-C4'-P energy: -6.401
tors. eta vs tors. theta energy: -17.507
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: 417
Temperature: 1.100000
Total energy: -223.608554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.608554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.640162 (E_RNA)
where:
Base-Base interactions energy: -171.662
where: short stacking energy: -70.664
Base-Backbone interact. energy: -0.176
local terms energy: -51.802152
where:
bonds (distance) C4'-P energy: -9.790
bonds (distance) P-C4' energy: -9.154
flat angles C4'-P-C4' energy: -7.932
flat angles P-C4'-P energy: -8.632
tors. eta vs tors. theta energy: -16.294
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -203.809268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.809268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.036115 (E_RNA)
where:
Base-Base interactions energy: -142.964
where: short stacking energy: -63.302
Base-Backbone interact. energy: -0.001
local terms energy: -61.071554
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -10.508
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -14.950
Dist. restrs. and SS energy: 0.227 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -185.277003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.277003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.319784 (E_RNA)
where:
Base-Base interactions energy: -137.107
where: short stacking energy: -59.908
Base-Backbone interact. energy: 0.419
local terms energy: -55.630897
where:
bonds (distance) C4'-P energy: -8.622
bonds (distance) P-C4' energy: -6.006
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -14.838
Dist. restrs. and SS energy: 7.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -204.279340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.279340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.359311 (E_RNA)
where:
Base-Base interactions energy: -144.871
where: short stacking energy: -60.771
Base-Backbone interact. energy: -0.163
local terms energy: -59.325508
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -11.255
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -12.947
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: 10
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -198.098586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.098586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.190467 (E_RNA)
where:
Base-Base interactions energy: -137.876
where: short stacking energy: -54.924
Base-Backbone interact. energy: -0.004
local terms energy: -60.310573
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -11.471
flat angles C4'-P-C4' energy: -10.179
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -16.646
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: 9
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -186.304477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.304477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.304477 (E_RNA)
where:
Base-Base interactions energy: -129.890
where: short stacking energy: -48.328
Base-Backbone interact. energy: -0.626
local terms energy: -55.788275
where:
bonds (distance) C4'-P energy: -11.588
bonds (distance) P-C4' energy: -10.441
flat angles C4'-P-C4' energy: -12.145
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -13.631
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -236.458887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.458887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.478958 (E_RNA)
where:
Base-Base interactions energy: -168.493
where: short stacking energy: -65.890
Base-Backbone interact. energy: -0.240
local terms energy: -67.745879
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -12.857
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -9.316
tors. eta vs tors. theta energy: -17.729
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: 6
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -214.166661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.166661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.187080 (E_RNA)
where:
Base-Base interactions energy: -147.116
where: short stacking energy: -55.805
Base-Backbone interact. energy: -0.084
local terms energy: -66.986954
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -15.273
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -13.116
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -235.596779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.596779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.698119 (E_RNA)
where:
Base-Base interactions energy: -173.111
where: short stacking energy: -69.091
Base-Backbone interact. energy: -0.007
local terms energy: -62.580187
where:
bonds (distance) C4'-P energy: -10.781
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -4.833
tors. eta vs tors. theta energy: -18.771
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: 418
Temperature: 1.050000
Total energy: -218.390063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.390063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.585338 (E_RNA)
where:
Base-Base interactions energy: -149.847
where: short stacking energy: -62.361
Base-Backbone interact. energy: -0.001
local terms energy: -68.737154
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: -17.142
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: 3
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -216.188150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.188150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.325604 (E_RNA)
where:
Base-Base interactions energy: -149.712
where: short stacking energy: -59.432
Base-Backbone interact. energy: -0.156
local terms energy: -66.458084
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -16.402
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -221.990112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.990112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.999053 (E_RNA)
where:
Base-Base interactions energy: -164.368
where: short stacking energy: -63.697
Base-Backbone interact. energy: -0.045
local terms energy: -57.585634
where:
bonds (distance) C4'-P energy: -10.848
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -11.004
flat angles P-C4'-P energy: -3.985
tors. eta vs tors. theta energy: -17.811
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: 418
Temperature: 1.200000
Total energy: -187.554546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.554546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.639080 (E_RNA)
where:
Base-Base interactions energy: -134.325
where: short stacking energy: -46.253
Base-Backbone interact. energy: -0.835
local terms energy: -52.479190
where:
bonds (distance) C4'-P energy: -11.051
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -6.723
tors. eta vs tors. theta energy: -9.093
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: 5
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -186.609031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.609031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.788134 (E_RNA)
where:
Base-Base interactions energy: -128.996
where: short stacking energy: -56.821
Base-Backbone interact. energy: -0.100
local terms energy: -64.691731
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -12.892
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -12.334
Dist. restrs. and SS energy: 7.179 (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: 9
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -194.233227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.233227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.565307 (E_RNA)
where:
Base-Base interactions energy: -136.302
where: short stacking energy: -53.421
Base-Backbone interact. energy: -0.029
local terms energy: -58.234835
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -10.880
flat angles P-C4'-P energy: -6.185
tors. eta vs tors. theta energy: -17.473
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: 10, replica: 10
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -187.999186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.999186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.390429 (E_RNA)
where:
Base-Base interactions energy: -133.348
where: short stacking energy: -49.581
Base-Backbone interact. energy: -0.246
local terms energy: -54.796434
where:
bonds (distance) C4'-P energy: -11.019
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -10.351
flat angles P-C4'-P energy: -6.111
tors. eta vs tors. theta energy: -15.041
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: 4
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -232.327069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.327069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.350667 (E_RNA)
where:
Base-Base interactions energy: -170.393
where: short stacking energy: -68.661
Base-Backbone interact. energy: -0.005
local terms energy: -61.952412
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -3.983
tors. eta vs tors. theta energy: -18.262
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: 419
Temperature: 0.950000
Total energy: -237.278510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.278510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.278510 (E_RNA)
where:
Base-Base interactions energy: -174.916
where: short stacking energy: -66.534
Base-Backbone interact. energy: -0.085
local terms energy: -62.277423
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -13.336
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: -16.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -215.213382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.213382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.225401 (E_RNA)
where:
Base-Base interactions energy: -150.041
where: short stacking energy: -57.147
Base-Backbone interact. energy: -0.091
local terms energy: -65.093731
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -13.308
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: 419
Temperature: 1.050000
Total energy: -211.613105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.613105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.665083 (E_RNA)
where:
Base-Base interactions energy: -152.241
where: short stacking energy: -63.062
Base-Backbone interact. energy: -0.002
local terms energy: -59.423019
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -11.119
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -14.533
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -221.122776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.122776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.422670 (E_RNA)
where:
Base-Base interactions energy: -163.806
where: short stacking energy: -67.033
Base-Backbone interact. energy: -0.010
local terms energy: -57.605746
where:
bonds (distance) C4'-P energy: -7.564
bonds (distance) P-C4' energy: -12.453
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -6.311
tors. eta vs tors. theta energy: -17.438
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: 6, replica: 7
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -199.084681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.084681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.084681 (E_RNA)
where:
Base-Base interactions energy: -141.269
where: short stacking energy: -54.630
Base-Backbone interact. energy: -0.115
local terms energy: -57.700937
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -10.082
flat angles C4'-P-C4' energy: -11.805
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -16.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -202.440649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.440649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.663035 (E_RNA)
where:
Base-Base interactions energy: -148.306
where: short stacking energy: -58.469
Base-Backbone interact. energy: -0.667
local terms energy: -53.690318
where:
bonds (distance) C4'-P energy: -11.059
bonds (distance) P-C4' energy: -12.093
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -5.906
tors. eta vs tors. theta energy: -11.563
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: 9
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -200.180076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.180076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.189878 (E_RNA)
where:
Base-Base interactions energy: -141.929
where: short stacking energy: -61.816
Base-Backbone interact. energy: -0.001
local terms energy: -58.259628
where:
bonds (distance) C4'-P energy: -10.340
bonds (distance) P-C4' energy: -9.806
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -16.885
Dist. restrs. and SS energy: 0.010 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -180.681129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.681129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.467521 (E_RNA)
where:
Base-Base interactions energy: -136.118
where: short stacking energy: -54.355
Base-Backbone interact. energy: -0.104
local terms energy: -52.246338
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -8.142
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -4.499
tors. eta vs tors. theta energy: -14.822
Dist. restrs. and SS energy: 7.786 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -187.912090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.912090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.054176 (E_RNA)
where:
Base-Base interactions energy: -129.669
where: short stacking energy: -48.342
Base-Backbone interact. energy: -0.777
local terms energy: -57.608070
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -6.061
tors. eta vs tors. theta energy: -13.074
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: 420
Temperature: 0.900000
Total energy: -237.458225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.458225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.529545 (E_RNA)
where:
Base-Base interactions energy: -172.708
where: short stacking energy: -70.639
Base-Backbone interact. energy: -0.043
local terms energy: -64.778180
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -3.830
tors. eta vs tors. theta energy: -19.748
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: 420
Temperature: 0.950000
Total energy: -234.014712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.014712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.033229 (E_RNA)
where:
Base-Base interactions energy: -166.264
where: short stacking energy: -67.474
Base-Backbone interact. energy: -0.243
local terms energy: -67.526287
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -11.609
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: -18.180
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: 420
Temperature: 1.000000
Total energy: -215.971122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.971122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.995792 (E_RNA)
where:
Base-Base interactions energy: -147.606
where: short stacking energy: -60.094
Base-Backbone interact. energy: -0.073
local terms energy: -68.317113
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -11.931
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -16.537
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -209.594043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.594043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.776948 (E_RNA)
where:
Base-Base interactions energy: -140.283
where: short stacking energy: -59.913
Base-Backbone interact. energy: -0.001
local terms energy: -69.493189
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -10.277
tors. eta vs tors. theta energy: -18.412
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: 5, replica: 7
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -205.479429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.479429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.584518 (E_RNA)
where:
Base-Base interactions energy: -141.861
where: short stacking energy: -64.330
Base-Backbone interact. energy: -0.001
local terms energy: -63.722918
where:
bonds (distance) C4'-P energy: -12.417
bonds (distance) P-C4' energy: -10.951
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -16.522
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -208.437711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.437711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.463964 (E_RNA)
where:
Base-Base interactions energy: -151.338
where: short stacking energy: -58.879
Base-Backbone interact. energy: -0.011
local terms energy: -57.114998
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -11.844
flat angles C4'-P-C4' energy: -12.060
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -14.442
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -204.053971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.053971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.083315 (E_RNA)
where:
Base-Base interactions energy: -142.117
where: short stacking energy: -58.030
Base-Backbone interact. energy: -0.163
local terms energy: -61.803620
where:
bonds (distance) C4'-P energy: -8.407
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -17.712
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -197.543830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.543830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.601649 (E_RNA)
where:
Base-Base interactions energy: -136.303
where: short stacking energy: -55.442
Base-Backbone interact. energy: -0.514
local terms energy: -60.785442
where:
bonds (distance) C4'-P energy: -11.606
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -9.490
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -14.638
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: 420
Temperature: 1.300000
Total energy: -193.827844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.827844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.871556 (E_RNA)
where:
Base-Base interactions energy: -139.701
where: short stacking energy: -53.579
Base-Backbone interact. energy: -0.001
local terms energy: -54.170010
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -10.512
flat angles C4'-P-C4' energy: -10.894
flat angles P-C4'-P energy: -5.097
tors. eta vs tors. theta energy: -13.986
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -173.841136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.841136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.791368 (E_RNA)
where:
Base-Base interactions energy: -131.715
where: short stacking energy: -52.781
Base-Backbone interact. energy: -0.018
local terms energy: -50.058208
where:
bonds (distance) C4'-P energy: -6.774
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -8.006
flat angles P-C4'-P energy: -6.884
tors. eta vs tors. theta energy: -15.310
Dist. restrs. and SS energy: 7.950 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -236.520237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.520237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.543240 (E_RNA)
where:
Base-Base interactions energy: -171.160
where: short stacking energy: -69.181
Base-Backbone interact. energy: -0.044
local terms energy: -65.339582
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -6.652
tors. eta vs tors. theta energy: -16.714
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: 4
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -235.286749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.286749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.306967 (E_RNA)
where:
Base-Base interactions energy: -170.179
where: short stacking energy: -67.030
Base-Backbone interact. energy: -0.623
local terms energy: -64.504190
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -5.892
tors. eta vs tors. theta energy: -17.285
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -217.468668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.468668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.616597 (E_RNA)
where:
Base-Base interactions energy: -148.414
where: short stacking energy: -63.833
Base-Backbone interact. energy: -0.096
local terms energy: -69.106754
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -17.860
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -214.852215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.852215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.015794 (E_RNA)
where:
Base-Base interactions energy: -146.661
where: short stacking energy: -62.453
Base-Backbone interact. energy: 0.928
local terms energy: -69.282517
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -10.003
flat angles C4'-P-C4' energy: -15.527
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -17.676
Dist. restrs. and SS energy: 0.164 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -213.095827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.095827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.103160 (E_RNA)
where:
Base-Base interactions energy: -145.873
where: short stacking energy: -57.527
Base-Backbone interact. energy: -0.057
local terms energy: -67.173957
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -10.605
tors. eta vs tors. theta energy: -16.943
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: 421
Temperature: 1.150000
Total energy: -204.234794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.234794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.261615 (E_RNA)
where:
Base-Base interactions energy: -144.268
where: short stacking energy: -58.368
Base-Backbone interact. energy: -0.577
local terms energy: -59.416348
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -11.194
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -4.398
tors. eta vs tors. theta energy: -17.208
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -203.313039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.313039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.354630 (E_RNA)
where:
Base-Base interactions energy: -149.070
where: short stacking energy: -55.756
Base-Backbone interact. energy: -0.354
local terms energy: -53.930823
where:
bonds (distance) C4'-P energy: -6.977
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -13.634
flat angles P-C4'-P energy: -5.256
tors. eta vs tors. theta energy: -13.609
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: 10
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -203.804456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.804456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.936231 (E_RNA)
where:
Base-Base interactions energy: -142.181
where: short stacking energy: -61.966
Base-Backbone interact. energy: -0.013
local terms energy: -61.742477
where:
bonds (distance) C4'-P energy: -10.650
bonds (distance) P-C4' energy: -11.597
flat angles C4'-P-C4' energy: -13.641
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -16.196
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: 1
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -196.269253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.269253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.302431 (E_RNA)
where:
Base-Base interactions energy: -136.549
where: short stacking energy: -53.921
Base-Backbone interact. energy: -0.078
local terms energy: -59.675175
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -10.643
flat angles C4'-P-C4' energy: -11.290
flat angles P-C4'-P energy: -10.678
tors. eta vs tors. theta energy: -12.456
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -180.622744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.622744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.644243 (E_RNA)
where:
Base-Base interactions energy: -125.663
where: short stacking energy: -58.769
Base-Backbone interact. energy: -0.004
local terms energy: -61.976472
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -12.210
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -14.232
Dist. restrs. and SS energy: 7.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -236.157218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.157218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.164523 (E_RNA)
where:
Base-Base interactions energy: -168.775
where: short stacking energy: -66.585
Base-Backbone interact. energy: -0.301
local terms energy: -67.088398
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -17.832
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: 4
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -224.058528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.058528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.191494 (E_RNA)
where:
Base-Base interactions energy: -160.945
where: short stacking energy: -67.840
Base-Backbone interact. energy: -0.018
local terms energy: -63.228738
where:
bonds (distance) C4'-P energy: -11.129
bonds (distance) P-C4' energy: -14.015
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -6.067
tors. eta vs tors. theta energy: -18.832
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: 7
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -207.303699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.303699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.320013 (E_RNA)
where:
Base-Base interactions energy: -141.259
where: short stacking energy: -57.931
Base-Backbone interact. energy: -0.102
local terms energy: -65.959360
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -16.732
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -15.704
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: 422
Temperature: 1.050000
Total energy: -205.142833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.142833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.432221 (E_RNA)
where:
Base-Base interactions energy: -144.234
where: short stacking energy: -59.433
Base-Backbone interact. energy: -0.042
local terms energy: -61.156811
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -11.594
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -12.667
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: 9
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -209.144249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.144249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.180676 (E_RNA)
where:
Base-Base interactions energy: -145.867
where: short stacking energy: -57.894
Base-Backbone interact. energy: -0.000
local terms energy: -63.313815
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -12.698
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -6.211
tors. eta vs tors. theta energy: -16.950
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: 3
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -206.346743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.346743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.486217 (E_RNA)
where:
Base-Base interactions energy: -139.117
where: short stacking energy: -58.772
Base-Backbone interact. energy: -0.008
local terms energy: -67.361324
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -14.634
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -204.108328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.108328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.156080 (E_RNA)
where:
Base-Base interactions energy: -143.830
where: short stacking energy: -57.961
Base-Backbone interact. energy: -0.576
local terms energy: -59.750950
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -7.931
flat angles P-C4'-P energy: -7.632
tors. eta vs tors. theta energy: -16.681
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: 8
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -197.579918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.579918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.598276 (E_RNA)
where:
Base-Base interactions energy: -139.657
where: short stacking energy: -54.381
Base-Backbone interact. energy: -0.002
local terms energy: -57.939636
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -9.100
flat angles P-C4'-P energy: -8.055
tors. eta vs tors. theta energy: -13.384
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -175.254843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.254843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.041469 (E_RNA)
where:
Base-Base interactions energy: -122.278
where: short stacking energy: -46.961
Base-Backbone interact. energy: -0.001
local terms energy: -59.762671
where:
bonds (distance) C4'-P energy: -8.937
bonds (distance) P-C4' energy: -13.342
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -15.118
Dist. restrs. and SS energy: 6.787 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -192.793557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.793557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.028901 (E_RNA)
where:
Base-Base interactions energy: -142.469
where: short stacking energy: -58.159
Base-Backbone interact. energy: -0.009
local terms energy: -50.550357
where:
bonds (distance) C4'-P energy: -8.224
bonds (distance) P-C4' energy: -10.805
flat angles C4'-P-C4' energy: -11.229
flat angles P-C4'-P energy: -7.360
tors. eta vs tors. theta energy: -12.932
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: 1, replica: 2
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -234.435261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.435261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.487326 (E_RNA)
where:
Base-Base interactions energy: -170.065
where: short stacking energy: -72.109
Base-Backbone interact. energy: -0.615
local terms energy: -63.806782
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -3.761
tors. eta vs tors. theta energy: -18.031
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: 4
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -234.897334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.897334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.929292 (E_RNA)
where:
Base-Base interactions energy: -171.376
where: short stacking energy: -66.706
Base-Backbone interact. energy: -0.232
local terms energy: -63.321316
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -5.629
tors. eta vs tors. theta energy: -16.289
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -215.416489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.416489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.558670 (E_RNA)
where:
Base-Base interactions energy: -149.760
where: short stacking energy: -60.192
Base-Backbone interact. energy: -0.071
local terms energy: -65.727901
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -6.970
tors. eta vs tors. theta energy: -17.042
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -209.985149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.985149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.073228 (E_RNA)
where:
Base-Base interactions energy: -146.076
where: short stacking energy: -59.613
Base-Backbone interact. energy: -0.001
local terms energy: -63.995969
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -12.130
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -209.706423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.706423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.727323 (E_RNA)
where:
Base-Base interactions energy: -144.482
where: short stacking energy: -58.635
Base-Backbone interact. energy: -0.001
local terms energy: -65.244620
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -12.835
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -14.596
Dist. restrs. and SS energy: 0.021 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -200.615533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.615533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.677643 (E_RNA)
where:
Base-Base interactions energy: -141.680
where: short stacking energy: -57.373
Base-Backbone interact. energy: -0.250
local terms energy: -58.747314
where:
bonds (distance) C4'-P energy: -11.599
bonds (distance) P-C4' energy: -9.819
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -13.396
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -201.863856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.863856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.908011 (E_RNA)
where:
Base-Base interactions energy: -141.957
where: short stacking energy: -57.197
Base-Backbone interact. energy: -1.132
local terms energy: -58.818415
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -10.347
flat angles C4'-P-C4' energy: -11.048
flat angles P-C4'-P energy: -5.132
tors. eta vs tors. theta energy: -17.796
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -176.852036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.852036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.311589 (E_RNA)
where:
Base-Base interactions energy: -125.668
where: short stacking energy: -51.965
Base-Backbone interact. energy: -0.001
local terms energy: -58.641840
where:
bonds (distance) C4'-P energy: -9.113
bonds (distance) P-C4' energy: -13.431
flat angles C4'-P-C4' energy: -9.638
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -16.587
Dist. restrs. and SS energy: 7.460 (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: 8
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -196.998471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.998471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.494197 (E_RNA)
where:
Base-Base interactions energy: -139.604
where: short stacking energy: -56.732
Base-Backbone interact. energy: 1.707
local terms energy: -59.597473
where:
bonds (distance) C4'-P energy: -9.919
bonds (distance) P-C4' energy: -10.547
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -8.962
tors. eta vs tors. theta energy: -14.400
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: 10, replica: 1
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -194.258947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.258947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.322030 (E_RNA)
where:
Base-Base interactions energy: -135.888
where: short stacking energy: -57.499
Base-Backbone interact. energy: -0.042
local terms energy: -58.392119
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -10.969
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -14.940
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: 4
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -233.498943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.498943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.516701 (E_RNA)
where:
Base-Base interactions energy: -167.836
where: short stacking energy: -68.131
Base-Backbone interact. energy: -0.469
local terms energy: -65.211728
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -4.099
tors. eta vs tors. theta energy: -17.920
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -229.076961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.076961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.077066 (E_RNA)
where:
Base-Base interactions energy: -169.221
where: short stacking energy: -66.464
Base-Backbone interact. energy: -0.471
local terms energy: -59.385651
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -10.997
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -5.989
tors. eta vs tors. theta energy: -16.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -215.504576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.504576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.524635 (E_RNA)
where:
Base-Base interactions energy: -144.528
where: short stacking energy: -60.858
Base-Backbone interact. energy: -0.003
local terms energy: -70.993730
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -18.503
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -213.946868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.946868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.964304 (E_RNA)
where:
Base-Base interactions energy: -144.026
where: short stacking energy: -59.437
Base-Backbone interact. energy: -0.046
local terms energy: -69.892583
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -16.475
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -7.279
tors. eta vs tors. theta energy: -17.931
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -205.772037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.772037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.871665 (E_RNA)
where:
Base-Base interactions energy: -140.299
where: short stacking energy: -61.419
Base-Backbone interact. energy: 1.156
local terms energy: -66.729108
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -16.662
Dist. restrs. and SS energy: 0.100 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -196.756688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.756688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.792571 (E_RNA)
where:
Base-Base interactions energy: -141.039
where: short stacking energy: -59.902
Base-Backbone interact. energy: -0.364
local terms energy: -55.389277
where:
bonds (distance) C4'-P energy: -7.383
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -6.884
tors. eta vs tors. theta energy: -12.097
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -186.015136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.015136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.458967 (E_RNA)
where:
Base-Base interactions energy: -134.396
where: short stacking energy: -57.505
Base-Backbone interact. energy: -0.012
local terms energy: -59.051138
where:
bonds (distance) C4'-P energy: -7.520
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -12.532
Dist. restrs. and SS energy: 7.444 (S_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: 424
Temperature: 1.250000
Total energy: -195.937946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.937946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.962995 (E_RNA)
where:
Base-Base interactions energy: -136.580
where: short stacking energy: -51.987
Base-Backbone interact. energy: -0.732
local terms energy: -58.651294
where:
bonds (distance) C4'-P energy: -5.035
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -10.694
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -15.717
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: 424
Temperature: 1.300000
Total energy: -196.420533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.420533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.494919 (E_RNA)
where:
Base-Base interactions energy: -139.979
where: short stacking energy: -52.066
Base-Backbone interact. energy: -0.010
local terms energy: -56.505786
where:
bonds (distance) C4'-P energy: -9.738
bonds (distance) P-C4' energy: -9.990
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -10.059
tors. eta vs tors. theta energy: -12.066
Dist. restrs. and SS energy: 0.074 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -189.846448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.846448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.926637 (E_RNA)
where:
Base-Base interactions energy: -129.277
where: short stacking energy: -51.955
Base-Backbone interact. energy: -0.051
local terms energy: -60.598773
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -12.937
flat angles P-C4'-P energy: -5.142
tors. eta vs tors. theta energy: -16.922
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -237.046129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.046129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.046129 (E_RNA)
where:
Base-Base interactions energy: -174.605
where: short stacking energy: -72.931
Base-Backbone interact. energy: -0.135
local terms energy: -62.306762
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -11.256
flat angles C4'-P-C4' energy: -15.503
flat angles P-C4'-P energy: -4.327
tors. eta vs tors. theta energy: -16.328
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -210.647039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.647039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.690511 (E_RNA)
where:
Base-Base interactions energy: -140.957
where: short stacking energy: -57.172
Base-Backbone interact. energy: -0.027
local terms energy: -69.706467
where:
bonds (distance) C4'-P energy: -10.292
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -18.246
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -221.919183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.919183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.063411 (E_RNA)
where:
Base-Base interactions energy: -161.277
where: short stacking energy: -64.309
Base-Backbone interact. energy: -0.015
local terms energy: -60.771134
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -5.273
tors. eta vs tors. theta energy: -16.067
Dist. restrs. and SS energy: 0.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -212.594194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.594194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.657374 (E_RNA)
where:
Base-Base interactions energy: -141.672
where: short stacking energy: -60.917
Base-Backbone interact. energy: -0.136
local terms energy: -70.849752
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -17.229
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: 425
Temperature: 1.100000
Total energy: -220.068334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.068334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.091816 (E_RNA)
where:
Base-Base interactions energy: -164.504
where: short stacking energy: -61.275
Base-Backbone interact. energy: -0.011
local terms energy: -55.577165
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -2.330
tors. eta vs tors. theta energy: -14.486
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: 5
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -191.600542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.600542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.895565 (E_RNA)
where:
Base-Base interactions energy: -139.801
where: short stacking energy: -60.516
Base-Backbone interact. energy: -0.000
local terms energy: -59.093759
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -13.218
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -6.250
tors. eta vs tors. theta energy: -14.786
Dist. restrs. and SS energy: 7.295 (S_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: -191.988176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.988176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.990988 (E_RNA)
where:
Base-Base interactions energy: -143.880
where: short stacking energy: -52.612
Base-Backbone interact. energy: -0.320
local terms energy: -47.790385
where:
bonds (distance) C4'-P energy: -9.266
bonds (distance) P-C4' energy: -9.362
flat angles C4'-P-C4' energy: -11.389
flat angles P-C4'-P energy: -5.696
tors. eta vs tors. theta energy: -12.077
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -197.079967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.079967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.147548 (E_RNA)
where:
Base-Base interactions energy: -136.223
where: short stacking energy: -56.167
Base-Backbone interact. energy: -0.005
local terms energy: -60.919370
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -10.351
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -12.153
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: 3
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -198.752360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.752360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.752360 (E_RNA)
where:
Base-Base interactions energy: -138.354
where: short stacking energy: -53.744
Base-Backbone interact. energy: 0.169
local terms energy: -60.567986
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -11.467
flat angles C4'-P-C4' energy: -12.062
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -17.141
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -193.307583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.307583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.307583 (E_RNA)
where:
Base-Base interactions energy: -132.879
where: short stacking energy: -49.144
Base-Backbone interact. energy: -0.727
local terms energy: -59.701460
where:
bonds (distance) C4'-P energy: -6.866
bonds (distance) P-C4' energy: -11.718
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -18.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -233.617521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.617521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.625387 (E_RNA)
where:
Base-Base interactions energy: -168.660
where: short stacking energy: -68.386
Base-Backbone interact. energy: -0.197
local terms energy: -64.768510
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -18.051
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: 426
Temperature: 0.950000
Total energy: -222.454301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.454301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.454301 (E_RNA)
where:
Base-Base interactions energy: -151.275
where: short stacking energy: -64.914
Base-Backbone interact. energy: -0.000
local terms energy: -71.179023
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -17.291
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: 3, replica: 6
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -212.983993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.983993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.983993 (E_RNA)
where:
Base-Base interactions energy: -150.489
where: short stacking energy: -62.828
Base-Backbone interact. energy: -0.084
local terms energy: -62.410620
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -10.928
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -14.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -222.413268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.413268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.594722 (E_RNA)
where:
Base-Base interactions energy: -162.735
where: short stacking energy: -63.158
Base-Backbone interact. energy: -0.003
local terms energy: -59.856868
where:
bonds (distance) C4'-P energy: -12.492
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -5.479
tors. eta vs tors. theta energy: -17.143
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: 5, replica: 5
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -198.197757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.197757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.785108 (E_RNA)
where:
Base-Base interactions energy: -146.214
where: short stacking energy: -61.158
Base-Backbone interact. energy: -0.234
local terms energy: -59.337005
where:
bonds (distance) C4'-P energy: -9.959
bonds (distance) P-C4' energy: -10.726
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -16.159
Dist. restrs. and SS energy: 7.587 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -200.807682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.807682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.889606 (E_RNA)
where:
Base-Base interactions energy: -141.936
where: short stacking energy: -56.383
Base-Backbone interact. energy: -0.003
local terms energy: -58.950645
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -10.713
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -14.571
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: 1
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -198.214238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.214238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.246134 (E_RNA)
where:
Base-Base interactions energy: -136.823
where: short stacking energy: -53.428
Base-Backbone interact. energy: -0.081
local terms energy: -61.342406
where:
bonds (distance) C4'-P energy: -11.510
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -12.192
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: 426
Temperature: 1.250000
Total energy: -194.481543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.481543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.596588 (E_RNA)
where:
Base-Base interactions energy: -134.870
where: short stacking energy: -55.615
Base-Backbone interact. energy: -0.001
local terms energy: -59.724910
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -8.356
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -12.467
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: 426
Temperature: 1.300000
Total energy: -192.807039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.807039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.832502 (E_RNA)
where:
Base-Base interactions energy: -139.788
where: short stacking energy: -58.648
Base-Backbone interact. energy: -0.017
local terms energy: -53.027567
where:
bonds (distance) C4'-P energy: -7.549
bonds (distance) P-C4' energy: -6.757
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -13.386
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: 3
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -190.464172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.464172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.530222 (E_RNA)
where:
Base-Base interactions energy: -135.772
where: short stacking energy: -54.594
Base-Backbone interact. energy: -0.008
local terms energy: -54.750882
where:
bonds (distance) C4'-P energy: -11.417
bonds (distance) P-C4' energy: -12.214
flat angles C4'-P-C4' energy: -10.617
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -11.631
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: 4
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -232.373776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.373776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.388300 (E_RNA)
where:
Base-Base interactions energy: -167.217
where: short stacking energy: -62.184
Base-Backbone interact. energy: -0.030
local terms energy: -65.140728
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -15.781
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -216.273651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.273651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.281179 (E_RNA)
where:
Base-Base interactions energy: -147.866
where: short stacking energy: -60.496
Base-Backbone interact. energy: -0.000
local terms energy: -68.414634
where:
bonds (distance) C4'-P energy: -12.036
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -8.234
tors. eta vs tors. theta energy: -20.013
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: 9
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -216.215332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.215332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.215332 (E_RNA)
where:
Base-Base interactions energy: -152.718
where: short stacking energy: -63.854
Base-Backbone interact. energy: -0.000
local terms energy: -63.497024
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -6.047
tors. eta vs tors. theta energy: -16.928
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -224.168099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.168099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.360721 (E_RNA)
where:
Base-Base interactions energy: -164.361
where: short stacking energy: -68.517
Base-Backbone interact. energy: -0.677
local terms energy: -59.322928
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -9.699
flat angles C4'-P-C4' energy: -13.651
flat angles P-C4'-P energy: -4.219
tors. eta vs tors. theta energy: -19.482
Dist. restrs. and SS energy: 0.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -192.639673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.639673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.273980 (E_RNA)
where:
Base-Base interactions energy: -140.681
where: short stacking energy: -61.071
Base-Backbone interact. energy: -0.007
local terms energy: -59.585765
where:
bonds (distance) C4'-P energy: -7.590
bonds (distance) P-C4' energy: -12.657
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -13.512
Dist. restrs. and SS energy: 7.634 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -216.301863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.301863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.301863 (E_RNA)
where:
Base-Base interactions energy: -154.905
where: short stacking energy: -65.892
Base-Backbone interact. energy: -0.241
local terms energy: -61.155892
where:
bonds (distance) C4'-P energy: -4.899
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -12.328
tors. eta vs tors. theta energy: -14.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -205.875919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.875919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.944485 (E_RNA)
where:
Base-Base interactions energy: -142.921
where: short stacking energy: -58.957
Base-Backbone interact. energy: 0.099
local terms energy: -63.122105
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -14.579
Dist. restrs. and SS energy: 0.069 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -199.369078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.369078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.369078 (E_RNA)
where:
Base-Base interactions energy: -138.682
where: short stacking energy: -53.829
Base-Backbone interact. energy: -0.032
local terms energy: -60.655273
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -11.925
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -13.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -192.094019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.094019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.268674 (E_RNA)
where:
Base-Base interactions energy: -129.647
where: short stacking energy: -50.688
Base-Backbone interact. energy: -0.250
local terms energy: -62.371380
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -7.961
tors. eta vs tors. theta energy: -13.009
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: 427
Temperature: 1.350000
Total energy: -184.118855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.118855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.261992 (E_RNA)
where:
Base-Base interactions energy: -125.942
where: short stacking energy: -52.334
Base-Backbone interact. energy: -0.002
local terms energy: -58.317675
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -11.597
flat angles C4'-P-C4' energy: -7.830
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -15.412
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: 4
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -237.387146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.387146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.515225 (E_RNA)
where:
Base-Base interactions energy: -172.826
where: short stacking energy: -71.356
Base-Backbone interact. energy: -0.534
local terms energy: -64.155253
where:
bonds (distance) C4'-P energy: -10.992
bonds (distance) P-C4' energy: -14.379
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -4.873
tors. eta vs tors. theta energy: -18.083
Dist. restrs. and SS energy: 0.128 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -223.537909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.537909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.574010 (E_RNA)
where:
Base-Base interactions energy: -158.152
where: short stacking energy: -59.385
Base-Backbone interact. energy: -0.339
local terms energy: -65.083391
where:
bonds (distance) C4'-P energy: -10.897
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -14.430
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: 3, replica: 2
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -211.575189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.575189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.756597 (E_RNA)
where:
Base-Base interactions energy: -151.929
where: short stacking energy: -59.888
Base-Backbone interact. energy: -0.382
local terms energy: -59.445649
where:
bonds (distance) C4'-P energy: -10.767
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -5.568
tors. eta vs tors. theta energy: -17.569
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: 4, replica: 9
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -212.762167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.762167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.762167 (E_RNA)
where:
Base-Base interactions energy: -147.234
where: short stacking energy: -55.735
Base-Backbone interact. energy: -0.345
local terms energy: -65.183198
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -15.403
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -223.524549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.524549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.682120 (E_RNA)
where:
Base-Base interactions energy: -149.839
where: short stacking energy: -59.188
Base-Backbone interact. energy: -0.000
local terms energy: -73.843332
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -16.954
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -189.345859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.345859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.119748 (E_RNA)
where:
Base-Base interactions energy: -138.051
where: short stacking energy: -61.461
Base-Backbone interact. energy: -0.588
local terms energy: -58.479856
where:
bonds (distance) C4'-P energy: -10.066
bonds (distance) P-C4' energy: -11.072
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -9.553
tors. eta vs tors. theta energy: -13.528
Dist. restrs. and SS energy: 7.774 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -210.756225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.756225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.906292 (E_RNA)
where:
Base-Base interactions energy: -156.340
where: short stacking energy: -63.506
Base-Backbone interact. energy: -0.434
local terms energy: -54.132967
where:
bonds (distance) C4'-P energy: -11.570
bonds (distance) P-C4' energy: -10.262
flat angles C4'-P-C4' energy: -10.568
flat angles P-C4'-P energy: -7.351
tors. eta vs tors. theta energy: -14.382
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: 7
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -199.341407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.341407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.520231 (E_RNA)
where:
Base-Base interactions energy: -144.823
where: short stacking energy: -62.925
Base-Backbone interact. energy: -0.001
local terms energy: -54.695719
where:
bonds (distance) C4'-P energy: -9.431
bonds (distance) P-C4' energy: -8.738
flat angles C4'-P-C4' energy: -13.453
flat angles P-C4'-P energy: -7.205
tors. eta vs tors. theta energy: -15.870
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: 9, replica: 3
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -195.253318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.253318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.255358 (E_RNA)
where:
Base-Base interactions energy: -135.687
where: short stacking energy: -50.747
Base-Backbone interact. energy: -0.533
local terms energy: -59.036013
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -11.069
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -13.670
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -191.051926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.051926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.051926 (E_RNA)
where:
Base-Base interactions energy: -138.890
where: short stacking energy: -50.819
Base-Backbone interact. energy: -0.074
local terms energy: -52.088269
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -8.077
flat angles C4'-P-C4' energy: -12.131
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: -13.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -237.406371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.406371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.415979 (E_RNA)
where:
Base-Base interactions energy: -171.669
where: short stacking energy: -69.386
Base-Backbone interact. energy: -0.001
local terms energy: -65.745381
where:
bonds (distance) C4'-P energy: -12.310
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -5.746
tors. eta vs tors. theta energy: -16.843
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: 429
Temperature: 0.950000
Total energy: -217.889410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.889410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.159243 (E_RNA)
where:
Base-Base interactions energy: -149.400
where: short stacking energy: -65.274
Base-Backbone interact. energy: -0.001
local terms energy: -68.758563
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -13.305
flat angles C4'-P-C4' energy: -14.294
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -18.213
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: 3, replica: 6
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -211.120906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.120906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.152343 (E_RNA)
where:
Base-Base interactions energy: -145.456
where: short stacking energy: -61.772
Base-Backbone interact. energy: -0.279
local terms energy: -65.417327
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -9.144
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -18.633
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: 4, replica: 1
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -211.410141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.410141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.628772 (E_RNA)
where:
Base-Base interactions energy: -144.073
where: short stacking energy: -57.363
Base-Backbone interact. energy: -0.554
local terms energy: -67.001144
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -16.492
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: 5, replica: 9
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -209.577352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.577352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.583145 (E_RNA)
where:
Base-Base interactions energy: -152.093
where: short stacking energy: -63.392
Base-Backbone interact. energy: -0.003
local terms energy: -57.487122
where:
bonds (distance) C4'-P energy: -9.626
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -8.479
flat angles P-C4'-P energy: -5.964
tors. eta vs tors. theta energy: -18.664
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: 8
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -204.550922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.550922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.612646 (E_RNA)
where:
Base-Base interactions energy: -150.705
where: short stacking energy: -60.820
Base-Backbone interact. energy: -0.233
local terms energy: -53.674780
where:
bonds (distance) C4'-P energy: -4.540
bonds (distance) P-C4' energy: -10.228
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -17.062
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -192.144057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.144057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.871353 (E_RNA)
where:
Base-Base interactions energy: -139.078
where: short stacking energy: -59.443
Base-Backbone interact. energy: -1.300
local terms energy: -58.493882
where:
bonds (distance) C4'-P energy: -11.763
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -10.653
flat angles P-C4'-P energy: -6.242
tors. eta vs tors. theta energy: -16.179
Dist. restrs. and SS energy: 6.727 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -198.428706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.428706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.524225 (E_RNA)
where:
Base-Base interactions energy: -150.268
where: short stacking energy: -56.722
Base-Backbone interact. energy: -0.013
local terms energy: -48.243530
where:
bonds (distance) C4'-P energy: -8.645
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -8.747
flat angles P-C4'-P energy: -2.867
tors. eta vs tors. theta energy: -13.519
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: 7
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -188.994817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.994817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.102793 (E_RNA)
where:
Base-Base interactions energy: -139.357
where: short stacking energy: -55.838
Base-Backbone interact. energy: -0.011
local terms energy: -49.735434
where:
bonds (distance) C4'-P energy: -9.525
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -8.014
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -9.911
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: 10
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -193.441467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.441467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.496752 (E_RNA)
where:
Base-Base interactions energy: -135.214
where: short stacking energy: -48.472
Base-Backbone interact. energy: -0.127
local terms energy: -58.155866
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -10.863
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -219.210606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.210606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.366014 (E_RNA)
where:
Base-Base interactions energy: -153.879
where: short stacking energy: -69.622
Base-Backbone interact. energy: -0.157
local terms energy: -65.329525
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -10.182
flat angles C4'-P-C4' energy: -13.006
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -18.326
Dist. restrs. and SS energy: 0.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -227.974621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.974621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.113262 (E_RNA)
where:
Base-Base interactions energy: -166.368
where: short stacking energy: -68.440
Base-Backbone interact. energy: -0.099
local terms energy: -61.646373
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -10.088
flat angles P-C4'-P energy: -5.305
tors. eta vs tors. theta energy: -18.638
Dist. restrs. and SS energy: 0.139 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -209.972582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.972582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.154420 (E_RNA)
where:
Base-Base interactions energy: -144.415
where: short stacking energy: -58.187
Base-Backbone interact. energy: -0.063
local terms energy: -65.676380
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -10.921
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: -19.094
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: 4, replica: 6
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -215.701714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.701714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.813742 (E_RNA)
where:
Base-Base interactions energy: -149.781
where: short stacking energy: -64.364
Base-Backbone interact. energy: -0.000
local terms energy: -66.032265
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -14.557
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -209.575861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.575861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.608459 (E_RNA)
where:
Base-Base interactions energy: -143.341
where: short stacking energy: -54.129
Base-Backbone interact. energy: -0.000
local terms energy: -66.267140
where:
bonds (distance) C4'-P energy: -13.498
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -15.963
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: 9
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -204.994416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.994416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.107448 (E_RNA)
where:
Base-Base interactions energy: -140.722
where: short stacking energy: -56.570
Base-Backbone interact. energy: 0.347
local terms energy: -64.732896
where:
bonds (distance) C4'-P energy: -9.196
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -16.679
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -196.699521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.699521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.755906 (E_RNA)
where:
Base-Base interactions energy: -133.376
where: short stacking energy: -52.879
Base-Backbone interact. energy: -0.041
local terms energy: -63.338739
where:
bonds (distance) C4'-P energy: -11.378
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -12.883
Dist. restrs. and SS energy: 0.056 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -177.965739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.965739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.188514 (E_RNA)
where:
Base-Base interactions energy: -125.087
where: short stacking energy: -57.184
Base-Backbone interact. energy: -0.221
local terms energy: -59.880656
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -9.724
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -13.930
Dist. restrs. and SS energy: 7.223 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -197.658121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.658121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.658121 (E_RNA)
where:
Base-Base interactions energy: -136.384
where: short stacking energy: -57.368
Base-Backbone interact. energy: -0.290
local terms energy: -60.983900
where:
bonds (distance) C4'-P energy: -9.957
bonds (distance) P-C4' energy: -13.163
flat angles C4'-P-C4' energy: -13.372
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -13.781
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: 10, replica: 7
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -188.979138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.979138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.026700 (E_RNA)
where:
Base-Base interactions energy: -130.552
where: short stacking energy: -48.989
Base-Backbone interact. energy: -0.072
local terms energy: -58.402626
where:
bonds (distance) C4'-P energy: -7.354
bonds (distance) P-C4' energy: -15.094
flat angles C4'-P-C4' energy: -13.673
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -14.239
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -218.858565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.858565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.872915 (E_RNA)
where:
Base-Base interactions energy: -147.747
where: short stacking energy: -60.582
Base-Backbone interact. energy: -0.372
local terms energy: -70.754203
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -15.369
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: 431
Temperature: 0.950000
Total energy: -229.349983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.349983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.408260 (E_RNA)
where:
Base-Base interactions energy: -165.801
where: short stacking energy: -63.510
Base-Backbone interact. energy: -0.514
local terms energy: -63.093535
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -12.370
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -7.747
tors. eta vs tors. theta energy: -16.693
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: 1
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -217.406966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.406966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.445730 (E_RNA)
where:
Base-Base interactions energy: -152.506
where: short stacking energy: -61.796
Base-Backbone interact. energy: -0.052
local terms energy: -64.887877
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -12.423
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -17.079
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -211.565387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.565387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.603715 (E_RNA)
where:
Base-Base interactions energy: -142.604
where: short stacking energy: -58.271
Base-Backbone interact. energy: -0.020
local terms energy: -68.979870
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -13.712
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: 8
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -207.879289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.879289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.884280 (E_RNA)
where:
Base-Base interactions energy: -153.435
where: short stacking energy: -61.478
Base-Backbone interact. energy: -0.002
local terms energy: -54.447888
where:
bonds (distance) C4'-P energy: -7.825
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -7.993
flat angles P-C4'-P energy: -6.418
tors. eta vs tors. theta energy: -16.809
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: 431
Temperature: 1.150000
Total energy: -208.529449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.529449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.617480 (E_RNA)
where:
Base-Base interactions energy: -148.933
where: short stacking energy: -61.721
Base-Backbone interact. energy: -0.032
local terms energy: -59.651855
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -11.737
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -14.007
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -204.048924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.048924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.174937 (E_RNA)
where:
Base-Base interactions energy: -152.857
where: short stacking energy: -60.510
Base-Backbone interact. energy: -0.012
local terms energy: -51.305948
where:
bonds (distance) C4'-P energy: -9.904
bonds (distance) P-C4' energy: -9.862
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: -10.232
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: 10
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -207.766494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.766494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.802686 (E_RNA)
where:
Base-Base interactions energy: -146.043
where: short stacking energy: -62.088
Base-Backbone interact. energy: -0.647
local terms energy: -61.111858
where:
bonds (distance) C4'-P energy: -10.381
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -5.882
tors. eta vs tors. theta energy: -16.787
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: 5
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -176.880779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.880779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.672501 (E_RNA)
where:
Base-Base interactions energy: -127.517
where: short stacking energy: -55.476
Base-Backbone interact. energy: -0.260
local terms energy: -56.895485
where:
bonds (distance) C4'-P energy: -14.140
bonds (distance) P-C4' energy: -13.078
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -0.632
tors. eta vs tors. theta energy: -14.291
Dist. restrs. and SS energy: 7.792 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -188.930038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.930038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.084409 (E_RNA)
where:
Base-Base interactions energy: -139.252
where: short stacking energy: -57.188
Base-Backbone interact. energy: -0.023
local terms energy: -49.809218
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -8.583
flat angles C4'-P-C4' energy: -5.978
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -12.695
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: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -224.842370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.842370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.929611 (E_RNA)
where:
Base-Base interactions energy: -158.058
where: short stacking energy: -64.644
Base-Backbone interact. energy: -0.002
local terms energy: -66.869670
where:
bonds (distance) C4'-P energy: -11.762
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -16.141
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: 4
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -234.504980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.504980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.504980 (E_RNA)
where:
Base-Base interactions energy: -168.638
where: short stacking energy: -67.191
Base-Backbone interact. energy: -0.001
local terms energy: -65.866261
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -6.946
tors. eta vs tors. theta energy: -17.632
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -212.841499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.841499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.896710 (E_RNA)
where:
Base-Base interactions energy: -146.448
where: short stacking energy: -65.312
Base-Backbone interact. energy: -0.001
local terms energy: -66.448073
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -12.098
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -18.358
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -208.639486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.639486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.943515 (E_RNA)
where:
Base-Base interactions energy: -141.527
where: short stacking energy: -59.980
Base-Backbone interact. energy: -0.012
local terms energy: -67.404724
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -11.968
tors. eta vs tors. theta energy: -15.425
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: 5, replica: 8
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -205.020519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.020519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.102849 (E_RNA)
where:
Base-Base interactions energy: -147.164
where: short stacking energy: -61.955
Base-Backbone interact. energy: 0.360
local terms energy: -58.298327
where:
bonds (distance) C4'-P energy: -7.603
bonds (distance) P-C4' energy: -12.343
flat angles C4'-P-C4' energy: -12.247
flat angles P-C4'-P energy: -6.303
tors. eta vs tors. theta energy: -19.802
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: 3
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -203.817129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.817129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.880421 (E_RNA)
where:
Base-Base interactions energy: -143.771
where: short stacking energy: -55.818
Base-Backbone interact. energy: -0.372
local terms energy: -59.738068
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -8.979
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -8.353
tors. eta vs tors. theta energy: -15.362
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: 10
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -199.298844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.298844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.386109 (E_RNA)
where:
Base-Base interactions energy: -142.242
where: short stacking energy: -59.070
Base-Backbone interact. energy: -0.012
local terms energy: -57.131571
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -10.204
flat angles C4'-P-C4' energy: -11.213
flat angles P-C4'-P energy: -8.343
tors. eta vs tors. theta energy: -16.280
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: 9
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -206.066520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.066520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.158426 (E_RNA)
where:
Base-Base interactions energy: -149.181
where: short stacking energy: -56.550
Base-Backbone interact. energy: 0.020
local terms energy: -56.998231
where:
bonds (distance) C4'-P energy: -10.633
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: 0.380
tors. eta vs tors. theta energy: -16.907
Dist. restrs. and SS energy: 0.092 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -199.897844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.897844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.119322 (E_RNA)
where:
Base-Base interactions energy: -151.778
where: short stacking energy: -60.769
Base-Backbone interact. energy: -0.024
local terms energy: -48.317246
where:
bonds (distance) C4'-P energy: -8.386
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -10.940
flat angles P-C4'-P energy: -2.797
tors. eta vs tors. theta energy: -13.222
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -168.494027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.494027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.117137 (E_RNA)
where:
Base-Base interactions energy: -124.492
where: short stacking energy: -51.083
Base-Backbone interact. energy: -0.252
local terms energy: -49.372783
where:
bonds (distance) C4'-P energy: -6.616
bonds (distance) P-C4' energy: -9.633
flat angles C4'-P-C4' energy: -10.391
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -14.847
Dist. restrs. and SS energy: 5.623 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -221.827542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.827542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.827542 (E_RNA)
where:
Base-Base interactions energy: -154.051
where: short stacking energy: -65.696
Base-Backbone interact. energy: -0.383
local terms energy: -67.393171
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -17.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -233.555824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.555824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.605653 (E_RNA)
where:
Base-Base interactions energy: -170.885
where: short stacking energy: -70.463
Base-Backbone interact. energy: -0.183
local terms energy: -62.537031
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -11.214
flat angles P-C4'-P energy: -5.795
tors. eta vs tors. theta energy: -20.121
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: 433
Temperature: 1.000000
Total energy: -225.095169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.095169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.237537 (E_RNA)
where:
Base-Base interactions energy: -163.578
where: short stacking energy: -65.101
Base-Backbone interact. energy: -0.136
local terms energy: -61.524172
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -13.052
flat angles C4'-P-C4' energy: -10.472
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: -17.318
Dist. restrs. and SS energy: 0.142 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -209.453713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.453713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.784774 (E_RNA)
where:
Base-Base interactions energy: -152.413
where: short stacking energy: -70.648
Base-Backbone interact. energy: 0.641
local terms energy: -58.012968
where:
bonds (distance) C4'-P energy: -5.421
bonds (distance) P-C4' energy: -12.665
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -16.817
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: 5, replica: 1
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -209.551590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.551590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.580636 (E_RNA)
where:
Base-Base interactions energy: -144.460
where: short stacking energy: -58.249
Base-Backbone interact. energy: -0.001
local terms energy: -65.119776
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -11.434
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -5.474
tors. eta vs tors. theta energy: -19.866
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: 10
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -204.543574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.543574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.588826 (E_RNA)
where:
Base-Base interactions energy: -141.416
where: short stacking energy: -60.462
Base-Backbone interact. energy: -0.001
local terms energy: -63.172652
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -12.999
flat angles P-C4'-P energy: -7.442
tors. eta vs tors. theta energy: -15.474
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -200.971428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.971428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.016046 (E_RNA)
where:
Base-Base interactions energy: -137.483
where: short stacking energy: -50.880
Base-Backbone interact. energy: -0.059
local terms energy: -63.473542
where:
bonds (distance) C4'-P energy: -10.940
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -14.766
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: 433
Temperature: 1.250000
Total energy: -205.592929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.592929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.635872 (E_RNA)
where:
Base-Base interactions energy: -139.331
where: short stacking energy: -59.215
Base-Backbone interact. energy: -0.000
local terms energy: -66.305140
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -16.864
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -191.153126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.153126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.297863 (E_RNA)
where:
Base-Base interactions energy: -140.842
where: short stacking energy: -52.657
Base-Backbone interact. energy: -0.974
local terms energy: -49.482428
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -11.075
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -3.165
tors. eta vs tors. theta energy: -11.574
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: 10, replica: 5
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -189.831169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.831169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.993406 (E_RNA)
where:
Base-Base interactions energy: -129.841
where: short stacking energy: -50.413
Base-Backbone interact. energy: 0.151
local terms energy: -67.303557
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -10.877
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -17.742
Dist. restrs. and SS energy: 7.162 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -222.850045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.850045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.894255 (E_RNA)
where:
Base-Base interactions energy: -160.441
where: short stacking energy: -63.748
Base-Backbone interact. energy: -0.097
local terms energy: -62.355348
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -10.027
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: -15.072
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -218.004608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.004608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.004608 (E_RNA)
where:
Base-Base interactions energy: -145.801
where: short stacking energy: -57.297
Base-Backbone interact. energy: -0.001
local terms energy: -72.202832
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -16.200
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -8.771
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: 3, replica: 8
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -214.096209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.096209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.178725 (E_RNA)
where:
Base-Base interactions energy: -152.476
where: short stacking energy: -64.124
Base-Backbone interact. energy: -0.008
local terms energy: -61.695360
where:
bonds (distance) C4'-P energy: -8.841
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: -15.448
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: 4
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -216.036178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.036178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.149678 (E_RNA)
where:
Base-Base interactions energy: -150.401
where: short stacking energy: -61.377
Base-Backbone interact. energy: -0.288
local terms energy: -65.460048
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -12.543
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -17.193
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: 1
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -214.481309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.481309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.494886 (E_RNA)
where:
Base-Base interactions energy: -158.038
where: short stacking energy: -60.714
Base-Backbone interact. energy: -0.959
local terms energy: -55.497718
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -10.966
flat angles P-C4'-P energy: -5.655
tors. eta vs tors. theta energy: -14.353
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: 434
Temperature: 1.150000
Total energy: -209.911024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.911024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.219426 (E_RNA)
where:
Base-Base interactions energy: -152.542
where: short stacking energy: -56.914
Base-Backbone interact. energy: -0.328
local terms energy: -57.349775
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -12.057
flat angles P-C4'-P energy: -3.277
tors. eta vs tors. theta energy: -15.067
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: 7, replica: 7
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -200.482280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.482280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.530516 (E_RNA)
where:
Base-Base interactions energy: -142.575
where: short stacking energy: -53.529
Base-Backbone interact. energy: -0.001
local terms energy: -57.954540
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -12.097
flat angles C4'-P-C4' energy: -11.185
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -13.806
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -196.807243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.807243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.893956 (E_RNA)
where:
Base-Base interactions energy: -136.970
where: short stacking energy: -53.467
Base-Backbone interact. energy: -0.017
local terms energy: -59.906892
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -9.779
tors. eta vs tors. theta energy: -10.447
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: 434
Temperature: 1.300000
Total energy: -186.563281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.563281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.010809 (E_RNA)
where:
Base-Base interactions energy: -138.485
where: short stacking energy: -54.794
Base-Backbone interact. energy: -0.026
local terms energy: -55.500085
where:
bonds (distance) C4'-P energy: -9.859
bonds (distance) P-C4' energy: -13.855
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -4.229
tors. eta vs tors. theta energy: -15.422
Dist. restrs. and SS energy: 7.448 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -194.278897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.278897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.369332 (E_RNA)
where:
Base-Base interactions energy: -132.012
where: short stacking energy: -50.678
Base-Backbone interact. energy: -0.043
local terms energy: -62.314062
where:
bonds (distance) C4'-P energy: -8.791
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -12.767
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -16.914
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -219.205651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.205651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.269112 (E_RNA)
where:
Base-Base interactions energy: -154.241
where: short stacking energy: -58.679
Base-Backbone interact. energy: -0.136
local terms energy: -64.892177
where:
bonds (distance) C4'-P energy: -13.200
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -12.424
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: -17.813
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: 435
Temperature: 0.950000
Total energy: -218.439459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.439459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.526834 (E_RNA)
where:
Base-Base interactions energy: -149.363
where: short stacking energy: -67.013
Base-Backbone interact. energy: -0.129
local terms energy: -69.034200
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -11.732
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -18.951
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: 8
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -218.538008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.538008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.785533 (E_RNA)
where:
Base-Base interactions energy: -160.892
where: short stacking energy: -66.067
Base-Backbone interact. energy: -0.005
local terms energy: -57.888727
where:
bonds (distance) C4'-P energy: -8.936
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -13.756
flat angles P-C4'-P energy: -4.736
tors. eta vs tors. theta energy: -16.702
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: 4, replica: 1
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -221.290685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.290685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.331514 (E_RNA)
where:
Base-Base interactions energy: -162.512
where: short stacking energy: -61.984
Base-Backbone interact. energy: -0.880
local terms energy: -57.939792
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -3.237
tors. eta vs tors. theta energy: -13.958
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: 4
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -212.596004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.596004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.685183 (E_RNA)
where:
Base-Base interactions energy: -147.601
where: short stacking energy: -61.419
Base-Backbone interact. energy: -0.608
local terms energy: -64.476237
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -14.579
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: 7
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -208.913713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.913713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.913713 (E_RNA)
where:
Base-Base interactions energy: -151.193
where: short stacking energy: -59.747
Base-Backbone interact. energy: -0.011
local terms energy: -57.710338
where:
bonds (distance) C4'-P energy: -10.896
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -4.522
tors. eta vs tors. theta energy: -15.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -201.680768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.680768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.680768 (E_RNA)
where:
Base-Base interactions energy: -139.386
where: short stacking energy: -57.672
Base-Backbone interact. energy: -0.003
local terms energy: -62.291312
where:
bonds (distance) C4'-P energy: -10.674
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -16.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -177.190600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.190600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.523456 (E_RNA)
where:
Base-Base interactions energy: -132.206
where: short stacking energy: -54.252
Base-Backbone interact. energy: -0.043
local terms energy: -52.273599
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -7.476
flat angles P-C4'-P energy: -5.922
tors. eta vs tors. theta energy: -12.697
Dist. restrs. and SS energy: 7.333 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -195.047841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.047841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.292782 (E_RNA)
where:
Base-Base interactions energy: -140.031
where: short stacking energy: -58.093
Base-Backbone interact. energy: -0.067
local terms energy: -55.194905
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -6.426
tors. eta vs tors. theta energy: -12.539
Dist. restrs. and SS energy: 0.245 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -195.713072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.713072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.739542 (E_RNA)
where:
Base-Base interactions energy: -137.408
where: short stacking energy: -53.699
Base-Backbone interact. energy: -0.697
local terms energy: -57.634767
where:
bonds (distance) C4'-P energy: -6.552
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -13.054
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -214.922982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.922982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.954454 (E_RNA)
where:
Base-Base interactions energy: -150.020
where: short stacking energy: -65.568
Base-Backbone interact. energy: 0.362
local terms energy: -65.296037
where:
bonds (distance) C4'-P energy: -9.810
bonds (distance) P-C4' energy: -13.637
flat angles C4'-P-C4' energy: -12.183
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -19.012
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -211.125786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.125786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.171001 (E_RNA)
where:
Base-Base interactions energy: -157.360
where: short stacking energy: -60.657
Base-Backbone interact. energy: 0.517
local terms energy: -54.328152
where:
bonds (distance) C4'-P energy: -8.261
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -10.976
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -13.935
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -227.966738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.966738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.966738 (E_RNA)
where:
Base-Base interactions energy: -168.498
where: short stacking energy: -67.101
Base-Backbone interact. energy: -0.033
local terms energy: -59.435837
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -8.496
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -16.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -214.974017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.974017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.975855 (E_RNA)
where:
Base-Base interactions energy: -159.807
where: short stacking energy: -62.878
Base-Backbone interact. energy: -0.019
local terms energy: -55.149514
where:
bonds (distance) C4'-P energy: -13.060
bonds (distance) P-C4' energy: -10.480
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -3.076
tors. eta vs tors. theta energy: -14.760
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: 7
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -208.460279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.460279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.567930 (E_RNA)
where:
Base-Base interactions energy: -145.181
where: short stacking energy: -58.603
Base-Backbone interact. energy: -0.003
local terms energy: -63.383864
where:
bonds (distance) C4'-P energy: -8.057
bonds (distance) P-C4' energy: -13.188
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -15.748
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: 436
Temperature: 1.150000
Total energy: -199.918068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.918068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.117604 (E_RNA)
where:
Base-Base interactions energy: -135.368
where: short stacking energy: -55.029
Base-Backbone interact. energy: -0.133
local terms energy: -64.617162
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -12.033
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -15.340
Dist. restrs. and SS energy: 0.200 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -196.934602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.934602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.075059 (E_RNA)
where:
Base-Base interactions energy: -138.539
where: short stacking energy: -54.430
Base-Backbone interact. energy: -0.111
local terms energy: -58.425301
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -11.626
flat angles P-C4'-P energy: -7.811
tors. eta vs tors. theta energy: -12.122
Dist. restrs. and SS energy: 0.140 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -175.023190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.023190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.456860 (E_RNA)
where:
Base-Base interactions energy: -125.929
where: short stacking energy: -58.309
Base-Backbone interact. energy: -0.082
local terms energy: -57.446248
where:
bonds (distance) C4'-P energy: -12.982
bonds (distance) P-C4' energy: -8.769
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -13.843
Dist. restrs. and SS energy: 8.434 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -196.260061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.260061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.260061 (E_RNA)
where:
Base-Base interactions energy: -135.348
where: short stacking energy: -52.941
Base-Backbone interact. energy: -0.000
local terms energy: -60.911524
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -10.093
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -17.259
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -195.481304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.481304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.583614 (E_RNA)
where:
Base-Base interactions energy: -137.510
where: short stacking energy: -52.744
Base-Backbone interact. energy: -0.136
local terms energy: -57.937638
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -10.936
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -5.641
tors. eta vs tors. theta energy: -16.448
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: 437
Temperature: 0.900000
Total energy: -227.247558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.247558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.370088 (E_RNA)
where:
Base-Base interactions energy: -164.243
where: short stacking energy: -63.352
Base-Backbone interact. energy: -0.098
local terms energy: -63.028747
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -13.360
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -5.245
tors. eta vs tors. theta energy: -15.409
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: 1
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -225.862472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.862472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.869067 (E_RNA)
where:
Base-Base interactions energy: -171.122
where: short stacking energy: -68.279
Base-Backbone interact. energy: -0.054
local terms energy: -54.692407
where:
bonds (distance) C4'-P energy: -9.006
bonds (distance) P-C4' energy: -11.181
flat angles C4'-P-C4' energy: -14.300
flat angles P-C4'-P energy: -2.391
tors. eta vs tors. theta energy: -17.814
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -222.317530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.317530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.503812 (E_RNA)
where:
Base-Base interactions energy: -158.395
where: short stacking energy: -69.744
Base-Backbone interact. energy: -0.008
local terms energy: -64.100126
where:
bonds (distance) C4'-P energy: -10.257
bonds (distance) P-C4' energy: -13.879
flat angles C4'-P-C4' energy: -13.984
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -18.253
Dist. restrs. and SS energy: 0.186 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -208.840587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.840587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.899656 (E_RNA)
where:
Base-Base interactions energy: -149.226
where: short stacking energy: -59.154
Base-Backbone interact. energy: -0.096
local terms energy: -59.577399
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -10.648
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -6.579
tors. eta vs tors. theta energy: -18.817
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -211.385185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.385185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.404065 (E_RNA)
where:
Base-Base interactions energy: -147.390
where: short stacking energy: -62.623
Base-Backbone interact. energy: -1.623
local terms energy: -62.391205
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -10.736
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -17.789
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: 10
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -198.173346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.173346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.220509 (E_RNA)
where:
Base-Base interactions energy: -136.916
where: short stacking energy: -53.649
Base-Backbone interact. energy: -0.023
local terms energy: -61.282140
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: -13.987
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -201.182251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.182251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.182646 (E_RNA)
where:
Base-Base interactions energy: -144.157
where: short stacking energy: -60.050
Base-Backbone interact. energy: -0.001
local terms energy: -57.024668
where:
bonds (distance) C4'-P energy: -12.148
bonds (distance) P-C4' energy: -10.897
flat angles C4'-P-C4' energy: -10.108
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -14.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -194.607504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.607504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.779982 (E_RNA)
where:
Base-Base interactions energy: -136.306
where: short stacking energy: -49.780
Base-Backbone interact. energy: -0.078
local terms energy: -58.395538
where:
bonds (distance) C4'-P energy: -9.228
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -13.546
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: 437
Temperature: 1.300000
Total energy: -177.717983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.717983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.029274 (E_RNA)
where:
Base-Base interactions energy: -133.783
where: short stacking energy: -53.263
Base-Backbone interact. energy: -0.059
local terms energy: -51.187140
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -5.217
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -12.988
Dist. restrs. and SS energy: 7.311 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -190.583076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.583076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.603086 (E_RNA)
where:
Base-Base interactions energy: -131.657
where: short stacking energy: -53.196
Base-Backbone interact. energy: -0.058
local terms energy: -58.887801
where:
bonds (distance) C4'-P energy: -9.584
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -7.373
tors. eta vs tors. theta energy: -16.593
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -220.768957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.768957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.862248 (E_RNA)
where:
Base-Base interactions energy: -154.185
where: short stacking energy: -66.294
Base-Backbone interact. energy: -0.003
local terms energy: -66.673425
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -17.927
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: 6
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -214.385890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.385890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.421404 (E_RNA)
where:
Base-Base interactions energy: -146.542
where: short stacking energy: -61.373
Base-Backbone interact. energy: -0.601
local terms energy: -67.278883
where:
bonds (distance) C4'-P energy: -10.705
bonds (distance) P-C4' energy: -15.764
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -15.724
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: 7
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -217.289269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.289269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.325875 (E_RNA)
where:
Base-Base interactions energy: -150.007
where: short stacking energy: -60.213
Base-Backbone interact. energy: -0.003
local terms energy: -67.315607
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -15.880
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: 438
Temperature: 1.050000
Total energy: -207.447458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.447458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.464156 (E_RNA)
where:
Base-Base interactions energy: -142.522
where: short stacking energy: -56.150
Base-Backbone interact. energy: -0.000
local terms energy: -64.941494
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -11.023
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -17.879
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: 10
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -202.169462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.169462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.185243 (E_RNA)
where:
Base-Base interactions energy: -139.190
where: short stacking energy: -53.008
Base-Backbone interact. energy: 0.120
local terms energy: -63.115318
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -15.361
flat angles P-C4'-P energy: -2.869
tors. eta vs tors. theta energy: -15.753
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -209.304458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.304458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.587019 (E_RNA)
where:
Base-Base interactions energy: -142.902
where: short stacking energy: -59.009
Base-Backbone interact. energy: -0.001
local terms energy: -66.683739
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -15.645
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: 7, replica: 4
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -194.639964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.639964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.646964 (E_RNA)
where:
Base-Base interactions energy: -142.717
where: short stacking energy: -57.501
Base-Backbone interact. energy: -0.385
local terms energy: -51.544535
where:
bonds (distance) C4'-P energy: -8.298
bonds (distance) P-C4' energy: -11.426
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -9.653
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -206.364093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.364093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.364093 (E_RNA)
where:
Base-Base interactions energy: -146.309
where: short stacking energy: -59.823
Base-Backbone interact. energy: -1.200
local terms energy: -58.854251
where:
bonds (distance) C4'-P energy: -7.125
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: -16.581
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -191.688103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.688103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.826377 (E_RNA)
where:
Base-Base interactions energy: -133.823
where: short stacking energy: -47.638
Base-Backbone interact. energy: 0.996
local terms energy: -58.999334
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -12.839
flat angles C4'-P-C4' energy: -10.614
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -11.541
Dist. restrs. and SS energy: 0.138 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -181.130985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.130985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.226443 (E_RNA)
where:
Base-Base interactions energy: -133.415
where: short stacking energy: -60.723
Base-Backbone interact. energy: -0.001
local terms energy: -54.810706
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -10.411
flat angles C4'-P-C4' energy: -9.346
flat angles P-C4'-P energy: -7.438
tors. eta vs tors. theta energy: -15.637
Dist. restrs. and SS energy: 7.095 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -224.994958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.994958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.060477 (E_RNA)
where:
Base-Base interactions energy: -155.329
where: short stacking energy: -65.665
Base-Backbone interact. energy: -0.288
local terms energy: -69.443336
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -16.937
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: 7
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -224.397207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.397207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.397207 (E_RNA)
where:
Base-Base interactions energy: -157.579
where: short stacking energy: -65.744
Base-Backbone interact. energy: -0.003
local terms energy: -66.815220
where:
bonds (distance) C4'-P energy: -8.616
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -17.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -212.324806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.324806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.373051 (E_RNA)
where:
Base-Base interactions energy: -148.779
where: short stacking energy: -65.143
Base-Backbone interact. energy: -0.005
local terms energy: -63.589205
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -11.619
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -18.089
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: 10
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -212.677198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.677198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.686335 (E_RNA)
where:
Base-Base interactions energy: -150.191
where: short stacking energy: -62.405
Base-Backbone interact. energy: -0.285
local terms energy: -62.210801
where:
bonds (distance) C4'-P energy: -11.639
bonds (distance) P-C4' energy: -9.992
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -18.741
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -209.953677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.953677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.089870 (E_RNA)
where:
Base-Base interactions energy: -144.304
where: short stacking energy: -60.844
Base-Backbone interact. energy: -0.001
local terms energy: -65.784507
where:
bonds (distance) C4'-P energy: -8.812
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -17.284
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: 4
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -204.888568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.888568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.915571 (E_RNA)
where:
Base-Base interactions energy: -143.710
where: short stacking energy: -56.565
Base-Backbone interact. energy: -0.267
local terms energy: -60.938666
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -11.618
flat angles P-C4'-P energy: -8.275
tors. eta vs tors. theta energy: -14.623
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -198.877401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.877401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.940025 (E_RNA)
where:
Base-Base interactions energy: -136.080
where: short stacking energy: -52.568
Base-Backbone interact. energy: -0.533
local terms energy: -62.326893
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -15.476
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: 439
Temperature: 1.250000
Total energy: -202.734949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.734949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.796322 (E_RNA)
where:
Base-Base interactions energy: -143.484
where: short stacking energy: -61.068
Base-Backbone interact. energy: -0.071
local terms energy: -59.241160
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -9.944
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -5.676
tors. eta vs tors. theta energy: -15.272
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: 9
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -193.627753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.627753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.745544 (E_RNA)
where:
Base-Base interactions energy: -133.662
where: short stacking energy: -55.060
Base-Backbone interact. energy: -0.691
local terms energy: -59.392949
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -14.173
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: 439
Temperature: 1.350000
Total energy: -170.906647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.906647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.086001 (E_RNA)
where:
Base-Base interactions energy: -123.961
where: short stacking energy: -51.238
Base-Backbone interact. energy: -0.002
local terms energy: -54.123034
where:
bonds (distance) C4'-P energy: -6.712
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -8.102
tors. eta vs tors. theta energy: -14.416
Dist. restrs. and SS energy: 7.179 (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: 440
Temperature: 0.900000
Total energy: -226.823827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.823827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.910760 (E_RNA)
where:
Base-Base interactions energy: -159.201
where: short stacking energy: -68.347
Base-Backbone interact. energy: 2.029
local terms energy: -69.739487
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -13.258
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: -18.721
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: 1
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -219.823472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.823472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.867960 (E_RNA)
where:
Base-Base interactions energy: -154.419
where: short stacking energy: -63.028
Base-Backbone interact. energy: -0.070
local terms energy: -65.378433
where:
bonds (distance) C4'-P energy: -9.560
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -18.856
Dist. restrs. and SS energy: 0.044 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -232.617128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.617128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.657849 (E_RNA)
where:
Base-Base interactions energy: -167.396
where: short stacking energy: -64.123
Base-Backbone interact. energy: -0.069
local terms energy: -65.192311
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -5.206
tors. eta vs tors. theta energy: -17.212
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: 6
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -214.388353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.388353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.389931 (E_RNA)
where:
Base-Base interactions energy: -146.341
where: short stacking energy: -60.400
Base-Backbone interact. energy: -0.001
local terms energy: -68.047800
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -17.923
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: 2
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -209.920591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.920591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.920591 (E_RNA)
where:
Base-Base interactions energy: -146.974
where: short stacking energy: -61.142
Base-Backbone interact. energy: -0.280
local terms energy: -62.666681
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -10.137
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -16.193
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: 4
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -218.281342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.281342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.296007 (E_RNA)
where:
Base-Base interactions energy: -151.626
where: short stacking energy: -62.213
Base-Backbone interact. energy: 1.472
local terms energy: -68.142017
where:
bonds (distance) C4'-P energy: -12.575
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -16.403
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -204.085270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.085270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.165378 (E_RNA)
where:
Base-Base interactions energy: -143.572
where: short stacking energy: -57.980
Base-Backbone interact. energy: -0.034
local terms energy: -60.559088
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -13.095
flat angles C4'-P-C4' energy: -10.403
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -14.470
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -199.174603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.174603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.203849 (E_RNA)
where:
Base-Base interactions energy: -133.753
where: short stacking energy: -51.511
Base-Backbone interact. energy: -0.051
local terms energy: -65.400033
where:
bonds (distance) C4'-P energy: -13.005
bonds (distance) P-C4' energy: -14.023
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -14.158
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: 9
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -200.337710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.337710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.496814 (E_RNA)
where:
Base-Base interactions energy: -143.025
where: short stacking energy: -63.645
Base-Backbone interact. energy: -0.283
local terms energy: -57.189326
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -10.918
flat angles C4'-P-C4' energy: -12.027
flat angles P-C4'-P energy: -6.227
tors. eta vs tors. theta energy: -13.691
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: 440
Temperature: 1.350000
Total energy: -165.712729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.712729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.275889 (E_RNA)
where:
Base-Base interactions energy: -122.982
where: short stacking energy: -53.810
Base-Backbone interact. energy: -0.033
local terms energy: -50.260898
where:
bonds (distance) C4'-P energy: -6.088
bonds (distance) P-C4' energy: -9.323
flat angles C4'-P-C4' energy: -10.162
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -15.790
Dist. restrs. and SS energy: 7.563 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -231.989512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.989512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.989512 (E_RNA)
where:
Base-Base interactions energy: -176.740
where: short stacking energy: -73.452
Base-Backbone interact. energy: -0.043
local terms energy: -55.206721
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -11.143
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: -0.460
tors. eta vs tors. theta energy: -19.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -226.824631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.824631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.824631 (E_RNA)
where:
Base-Base interactions energy: -168.596
where: short stacking energy: -68.275
Base-Backbone interact. energy: -0.008
local terms energy: -58.220504
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -9.679
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -5.401
tors. eta vs tors. theta energy: -17.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -215.211859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.211859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.285280 (E_RNA)
where:
Base-Base interactions energy: -149.448
where: short stacking energy: -65.165
Base-Backbone interact. energy: -0.280
local terms energy: -65.557130
where:
bonds (distance) C4'-P energy: -12.390
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -220.986208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.986208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.087391 (E_RNA)
where:
Base-Base interactions energy: -162.921
where: short stacking energy: -63.125
Base-Backbone interact. energy: -0.175
local terms energy: -57.991396
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -7.999
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -6.289
tors. eta vs tors. theta energy: -16.236
Dist. restrs. and SS energy: 0.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -216.871763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.871763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.931362 (E_RNA)
where:
Base-Base interactions energy: -156.028
where: short stacking energy: -63.086
Base-Backbone interact. energy: -0.028
local terms energy: -60.875199
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -11.651
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -15.853
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -224.137038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.137038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.197474 (E_RNA)
where:
Base-Base interactions energy: -160.502
where: short stacking energy: -59.654
Base-Backbone interact. energy: -0.377
local terms energy: -63.318200
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -3.420
tors. eta vs tors. theta energy: -17.314
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -201.786662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.786662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.848282 (E_RNA)
where:
Base-Base interactions energy: -141.568
where: short stacking energy: -56.327
Base-Backbone interact. energy: -0.062
local terms energy: -60.217869
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -10.933
flat angles C4'-P-C4' energy: -11.144
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -13.928
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: 9
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -197.966965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.966965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.966965 (E_RNA)
where:
Base-Base interactions energy: -140.807
where: short stacking energy: -51.084
Base-Backbone interact. energy: -0.011
local terms energy: -57.149085
where:
bonds (distance) C4'-P energy: -10.679
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: -10.312
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -194.644314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.644314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.673666 (E_RNA)
where:
Base-Base interactions energy: -137.367
where: short stacking energy: -53.955
Base-Backbone interact. energy: -0.166
local terms energy: -57.140883
where:
bonds (distance) C4'-P energy: -7.640
bonds (distance) P-C4' energy: -11.603
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -7.990
tors. eta vs tors. theta energy: -15.567
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -175.719287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.719287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.796452 (E_RNA)
where:
Base-Base interactions energy: -125.269
where: short stacking energy: -50.486
Base-Backbone interact. energy: -0.474
local terms energy: -58.053576
where:
bonds (distance) C4'-P energy: -10.583
bonds (distance) P-C4' energy: -15.487
flat angles C4'-P-C4' energy: -11.691
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: -11.500
Dist. restrs. and SS energy: 8.077 (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: 10
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -243.558303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.558303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.589056 (E_RNA)
where:
Base-Base interactions energy: -179.114
where: short stacking energy: -73.078
Base-Backbone interact. energy: -0.003
local terms energy: -64.472275
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -12.957
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -2.905
tors. eta vs tors. theta energy: -18.391
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -227.032735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.032735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.131274 (E_RNA)
where:
Base-Base interactions energy: -170.991
where: short stacking energy: -71.254
Base-Backbone interact. energy: -0.050
local terms energy: -56.090630
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -2.105
tors. eta vs tors. theta energy: -16.093
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -225.605435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.605435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.632438 (E_RNA)
where:
Base-Base interactions energy: -162.418
where: short stacking energy: -65.231
Base-Backbone interact. energy: -0.008
local terms energy: -63.205774
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -5.075
tors. eta vs tors. theta energy: -18.565
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -208.209449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.209449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.216557 (E_RNA)
where:
Base-Base interactions energy: -140.984
where: short stacking energy: -54.998
Base-Backbone interact. energy: -0.207
local terms energy: -67.025494
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -16.246
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -16.842
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: 442
Temperature: 1.100000
Total energy: -202.360687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.360687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.362451 (E_RNA)
where:
Base-Base interactions energy: -137.383
where: short stacking energy: -51.879
Base-Backbone interact. energy: -0.001
local terms energy: -64.979090
where:
bonds (distance) C4'-P energy: -12.699
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -13.713
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: 442
Temperature: 1.150000
Total energy: -218.583571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.583571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.583571 (E_RNA)
where:
Base-Base interactions energy: -164.935
where: short stacking energy: -62.982
Base-Backbone interact. energy: -0.300
local terms energy: -53.349256
where:
bonds (distance) C4'-P energy: -8.927
bonds (distance) P-C4' energy: -10.072
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -3.182
tors. eta vs tors. theta energy: -14.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -201.759098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.759098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.821098 (E_RNA)
where:
Base-Base interactions energy: -143.762
where: short stacking energy: -60.598
Base-Backbone interact. energy: 0.102
local terms energy: -58.160976
where:
bonds (distance) C4'-P energy: -10.926
bonds (distance) P-C4' energy: -9.405
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -14.360
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: 9
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -194.325472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.325472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.658954 (E_RNA)
where:
Base-Base interactions energy: -139.909
where: short stacking energy: -52.498
Base-Backbone interact. energy: -0.004
local terms energy: -54.746439
where:
bonds (distance) C4'-P energy: -9.151
bonds (distance) P-C4' energy: -13.929
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -7.206
tors. eta vs tors. theta energy: -10.966
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: 9, replica: 3
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -210.161295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.161295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.183754 (E_RNA)
where:
Base-Base interactions energy: -149.036
where: short stacking energy: -63.053
Base-Backbone interact. energy: -0.167
local terms energy: -60.980636
where:
bonds (distance) C4'-P energy: -7.202
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -11.351
tors. eta vs tors. theta energy: -16.900
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -172.568449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.568449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.053619 (E_RNA)
where:
Base-Base interactions energy: -120.373
where: short stacking energy: -50.488
Base-Backbone interact. energy: -0.424
local terms energy: -59.257041
where:
bonds (distance) C4'-P energy: -11.108
bonds (distance) P-C4' energy: -12.163
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -11.733
Dist. restrs. and SS energy: 7.485 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -229.174865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.174865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.189744 (E_RNA)
where:
Base-Base interactions energy: -172.845
where: short stacking energy: -67.612
Base-Backbone interact. energy: -0.131
local terms energy: -56.214461
where:
bonds (distance) C4'-P energy: -9.632
bonds (distance) P-C4' energy: -12.738
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -3.387
tors. eta vs tors. theta energy: -15.749
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -219.217499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.217499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.342226 (E_RNA)
where:
Base-Base interactions energy: -158.007
where: short stacking energy: -68.212
Base-Backbone interact. energy: -0.000
local terms energy: -61.334917
where:
bonds (distance) C4'-P energy: -9.195
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -14.524
Dist. restrs. and SS energy: 0.125 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -214.070497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.070497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.070497 (E_RNA)
where:
Base-Base interactions energy: -149.621
where: short stacking energy: -60.113
Base-Backbone interact. energy: -0.012
local terms energy: -64.437874
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -11.355
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -8.461
tors. eta vs tors. theta energy: -15.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -210.815391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.815391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.002548 (E_RNA)
where:
Base-Base interactions energy: -148.728
where: short stacking energy: -62.370
Base-Backbone interact. energy: -0.289
local terms energy: -61.985176
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -11.081
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: 5, replica: 1
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -217.416783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.416783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.500525 (E_RNA)
where:
Base-Base interactions energy: -155.342
where: short stacking energy: -63.558
Base-Backbone interact. energy: -0.007
local terms energy: -62.151837
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -12.400
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -6.206
tors. eta vs tors. theta energy: -17.744
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: 443
Temperature: 1.150000
Total energy: -209.119616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.119616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.138939 (E_RNA)
where:
Base-Base interactions energy: -149.465
where: short stacking energy: -61.561
Base-Backbone interact. energy: -0.012
local terms energy: -59.661902
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -11.942
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -7.796
tors. eta vs tors. theta energy: -12.645
Dist. restrs. and SS energy: 0.019 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -198.556610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.556610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.561999 (E_RNA)
where:
Base-Base interactions energy: -147.070
where: short stacking energy: -55.766
Base-Backbone interact. energy: -0.080
local terms energy: -51.411642
where:
bonds (distance) C4'-P energy: -8.790
bonds (distance) P-C4' energy: -9.219
flat angles C4'-P-C4' energy: -12.359
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -11.813
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -199.023354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.023354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.244454 (E_RNA)
where:
Base-Base interactions energy: -136.331
where: short stacking energy: -50.506
Base-Backbone interact. energy: -0.110
local terms energy: -62.802725
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -7.870
tors. eta vs tors. theta energy: -14.447
Dist. restrs. and SS energy: 0.221 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -194.154508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.154508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.303738 (E_RNA)
where:
Base-Base interactions energy: -136.226
where: short stacking energy: -53.243
Base-Backbone interact. energy: -0.288
local terms energy: -57.789266
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -11.766
flat angles C4'-P-C4' energy: -8.659
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -16.465
Dist. restrs. and SS energy: 0.149 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -166.090634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.090634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.061293 (E_RNA)
where:
Base-Base interactions energy: -125.595
where: short stacking energy: -54.502
Base-Backbone interact. energy: -0.004
local terms energy: -48.462427
where:
bonds (distance) C4'-P energy: -7.040
bonds (distance) P-C4' energy: -10.112
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -5.967
tors. eta vs tors. theta energy: -12.809
Dist. restrs. and SS energy: 7.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -220.912932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.912932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.019049 (E_RNA)
where:
Base-Base interactions energy: -151.972
where: short stacking energy: -68.027
Base-Backbone interact. energy: -0.002
local terms energy: -69.045023
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -18.196
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -223.351754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.351754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.425956 (E_RNA)
where:
Base-Base interactions energy: -162.773
where: short stacking energy: -62.757
Base-Backbone interact. energy: -0.358
local terms energy: -60.294622
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -5.723
tors. eta vs tors. theta energy: -14.881
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: 444
Temperature: 1.000000
Total energy: -213.038548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.038548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.076842 (E_RNA)
where:
Base-Base interactions energy: -145.666
where: short stacking energy: -56.756
Base-Backbone interact. energy: -0.030
local terms energy: -67.380850
where:
bonds (distance) C4'-P energy: -10.707
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -16.240
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: 7
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -207.866328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.866328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.912937 (E_RNA)
where:
Base-Base interactions energy: -145.483
where: short stacking energy: -64.346
Base-Backbone interact. energy: -0.000
local terms energy: -62.429209
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -11.518
flat angles C4'-P-C4' energy: -13.853
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -14.112
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -209.225162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.225162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.256217 (E_RNA)
where:
Base-Base interactions energy: -157.766
where: short stacking energy: -61.296
Base-Backbone interact. energy: 0.689
local terms energy: -52.178845
where:
bonds (distance) C4'-P energy: -10.203
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -10.959
flat angles P-C4'-P energy: -2.799
tors. eta vs tors. theta energy: -15.444
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: 444
Temperature: 1.150000
Total energy: -206.838012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.838012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.019013 (E_RNA)
where:
Base-Base interactions energy: -146.017
where: short stacking energy: -58.418
Base-Backbone interact. energy: -0.239
local terms energy: -60.762567
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -11.579
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -5.035
tors. eta vs tors. theta energy: -15.124
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: 7, replica: 3
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -198.725251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.725251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.105624 (E_RNA)
where:
Base-Base interactions energy: -138.636
where: short stacking energy: -58.182
Base-Backbone interact. energy: -0.001
local terms energy: -60.468650
where:
bonds (distance) C4'-P energy: -9.797
bonds (distance) P-C4' energy: -9.454
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -16.997
Dist. restrs. and SS energy: 0.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -205.814802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.814802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.969412 (E_RNA)
where:
Base-Base interactions energy: -141.380
where: short stacking energy: -58.656
Base-Backbone interact. energy: -0.014
local terms energy: -64.575525
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -11.807
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -14.942
Dist. restrs. and SS energy: 0.155 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -184.980193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.980193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.240082 (E_RNA)
where:
Base-Base interactions energy: -129.386
where: short stacking energy: -56.650
Base-Backbone interact. energy: -0.741
local terms energy: -64.112586
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -16.898
Dist. restrs. and SS energy: 9.260 (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: 9
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -197.706163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.706163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.923251 (E_RNA)
where:
Base-Base interactions energy: -137.082
where: short stacking energy: -55.416
Base-Backbone interact. energy: -0.012
local terms energy: -60.829517
where:
bonds (distance) C4'-P energy: -9.425
bonds (distance) P-C4' energy: -12.886
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -16.837
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: 1, replica: 2
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -229.027899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.027899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.043163 (E_RNA)
where:
Base-Base interactions energy: -163.275
where: short stacking energy: -68.559
Base-Backbone interact. energy: -0.007
local terms energy: -65.760487
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -14.321
flat angles C4'-P-C4' energy: -13.867
flat angles P-C4'-P energy: -5.285
tors. eta vs tors. theta energy: -17.418
Dist. restrs. and SS energy: 0.015 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -232.997189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.997189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.037526 (E_RNA)
where:
Base-Base interactions energy: -172.045
where: short stacking energy: -65.831
Base-Backbone interact. energy: -0.004
local terms energy: -60.988294
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -12.939
flat angles C4'-P-C4' energy: -12.813
flat angles P-C4'-P energy: -3.376
tors. eta vs tors. theta energy: -17.815
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -229.788054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.788054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.857221 (E_RNA)
where:
Base-Base interactions energy: -160.519
where: short stacking energy: -67.466
Base-Backbone interact. energy: -0.082
local terms energy: -69.256553
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -14.169
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -18.723
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: 1
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -209.222081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.222081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.305066 (E_RNA)
where:
Base-Base interactions energy: -149.167
where: short stacking energy: -63.192
Base-Backbone interact. energy: 0.581
local terms energy: -60.719154
where:
bonds (distance) C4'-P energy: -8.434
bonds (distance) P-C4' energy: -12.016
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -16.560
Dist. restrs. and SS energy: 0.083 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -204.216123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.216123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.225852 (E_RNA)
where:
Base-Base interactions energy: -138.063
where: short stacking energy: -55.417
Base-Backbone interact. energy: -0.158
local terms energy: -66.005571
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -5.867
tors. eta vs tors. theta energy: -18.744
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: 445
Temperature: 1.150000
Total energy: -203.121709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.121709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.259304 (E_RNA)
where:
Base-Base interactions energy: -141.398
where: short stacking energy: -51.977
Base-Backbone interact. energy: -0.084
local terms energy: -61.777074
where:
bonds (distance) C4'-P energy: -9.638
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -13.749
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: 4
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -200.490149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.490149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.529516 (E_RNA)
where:
Base-Base interactions energy: -142.342
where: short stacking energy: -59.433
Base-Backbone interact. energy: -0.013
local terms energy: -58.174598
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -11.485
flat angles P-C4'-P energy: -4.836
tors. eta vs tors. theta energy: -15.645
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: 6
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -201.760907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.760907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.869381 (E_RNA)
where:
Base-Base interactions energy: -145.508
where: short stacking energy: -59.918
Base-Backbone interact. energy: -0.238
local terms energy: -56.123037
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -11.034
flat angles C4'-P-C4' energy: -10.424
flat angles P-C4'-P energy: -6.522
tors. eta vs tors. theta energy: -16.998
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: 445
Temperature: 1.300000
Total energy: -174.145695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.145695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.861268 (E_RNA)
where:
Base-Base interactions energy: -133.389
where: short stacking energy: -59.352
Base-Backbone interact. energy: -0.086
local terms energy: -49.386444
where:
bonds (distance) C4'-P energy: -8.993
bonds (distance) P-C4' energy: -9.073
flat angles C4'-P-C4' energy: -8.923
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -14.701
Dist. restrs. and SS energy: 8.716 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -197.071180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.071180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.176732 (E_RNA)
where:
Base-Base interactions energy: -138.619
where: short stacking energy: -55.715
Base-Backbone interact. energy: -0.093
local terms energy: -58.464771
where:
bonds (distance) C4'-P energy: -9.482
bonds (distance) P-C4' energy: -10.041
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: -14.093
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -232.388012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.388012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.388012 (E_RNA)
where:
Base-Base interactions energy: -168.865
where: short stacking energy: -65.943
Base-Backbone interact. energy: -0.042
local terms energy: -63.481717
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -11.325
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -4.712
tors. eta vs tors. theta energy: -17.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -224.109722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.109722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.112455 (E_RNA)
where:
Base-Base interactions energy: -162.492
where: short stacking energy: -65.807
Base-Backbone interact. energy: -0.001
local terms energy: -61.619603
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -5.084
tors. eta vs tors. theta energy: -14.840
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -214.377010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.377010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.435411 (E_RNA)
where:
Base-Base interactions energy: -146.161
where: short stacking energy: -61.303
Base-Backbone interact. energy: -0.097
local terms energy: -68.178134
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -19.420
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -230.272149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.272149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.287758 (E_RNA)
where:
Base-Base interactions energy: -169.647
where: short stacking energy: -68.652
Base-Backbone interact. energy: -0.015
local terms energy: -60.625880
where:
bonds (distance) C4'-P energy: -9.798
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -5.407
tors. eta vs tors. theta energy: -16.610
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: 446
Temperature: 1.100000
Total energy: -202.340481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.340481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.425599 (E_RNA)
where:
Base-Base interactions energy: -144.893
where: short stacking energy: -64.719
Base-Backbone interact. energy: -0.003
local terms energy: -57.529587
where:
bonds (distance) C4'-P energy: -9.872
bonds (distance) P-C4' energy: -12.113
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -5.983
tors. eta vs tors. theta energy: -15.780
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -203.205079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.205079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.263465 (E_RNA)
where:
Base-Base interactions energy: -141.324
where: short stacking energy: -53.808
Base-Backbone interact. energy: -0.069
local terms energy: -61.871173
where:
bonds (distance) C4'-P energy: -10.727
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -13.301
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: 4
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -203.339175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.339175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.416003 (E_RNA)
where:
Base-Base interactions energy: -139.112
where: short stacking energy: -49.599
Base-Backbone interact. energy: -0.015
local terms energy: -64.289303
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -10.475
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: 6
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -203.060487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.060487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.060487 (E_RNA)
where:
Base-Base interactions energy: -146.576
where: short stacking energy: -56.524
Base-Backbone interact. energy: -0.063
local terms energy: -56.421086
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -10.006
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -10.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -197.619338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.619338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.724513 (E_RNA)
where:
Base-Base interactions energy: -135.645
where: short stacking energy: -48.682
Base-Backbone interact. energy: 0.024
local terms energy: -62.104305
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -12.016
flat angles P-C4'-P energy: -9.186
tors. eta vs tors. theta energy: -12.952
Dist. restrs. and SS energy: 0.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -173.430836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.430836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.370339 (E_RNA)
where:
Base-Base interactions energy: -129.368
where: short stacking energy: -51.583
Base-Backbone interact. energy: -0.074
local terms energy: -51.928425
where:
bonds (distance) C4'-P energy: -8.592
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -8.722
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -12.993
Dist. restrs. and SS energy: 7.940 (S_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: 447
Temperature: 0.900000
Total energy: -234.305963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.305963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.339715 (E_RNA)
where:
Base-Base interactions energy: -169.843
where: short stacking energy: -64.546
Base-Backbone interact. energy: -0.004
local terms energy: -64.491980
where:
bonds (distance) C4'-P energy: -13.934
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -3.460
tors. eta vs tors. theta energy: -18.096
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: 2
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -227.396240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.396240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.414585 (E_RNA)
where:
Base-Base interactions energy: -165.007
where: short stacking energy: -66.958
Base-Backbone interact. energy: -0.002
local terms energy: -62.405111
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -4.595
tors. eta vs tors. theta energy: -19.042
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -211.139918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.139918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.143253 (E_RNA)
where:
Base-Base interactions energy: -148.385
where: short stacking energy: -57.318
Base-Backbone interact. energy: -0.678
local terms energy: -62.080733
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -11.388
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -13.565
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -210.217296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.217296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.273814 (E_RNA)
where:
Base-Base interactions energy: -150.891
where: short stacking energy: -50.464
Base-Backbone interact. energy: -0.070
local terms energy: -59.312687
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -12.596
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -207.305769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.305769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.485552 (E_RNA)
where:
Base-Base interactions energy: -143.130
where: short stacking energy: -57.668
Base-Backbone interact. energy: -0.001
local terms energy: -64.354211
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -11.774
flat angles P-C4'-P energy: -7.415
tors. eta vs tors. theta energy: -17.127
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: 6, replica: 4
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -215.493074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.493074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.538238 (E_RNA)
where:
Base-Base interactions energy: -148.579
where: short stacking energy: -65.507
Base-Backbone interact. energy: -0.669
local terms energy: -66.290413
where:
bonds (distance) C4'-P energy: -9.788
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -13.590
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -17.026
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -205.446182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.446182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.603677 (E_RNA)
where:
Base-Base interactions energy: -144.911
where: short stacking energy: -60.247
Base-Backbone interact. energy: -0.005
local terms energy: -60.686859
where:
bonds (distance) C4'-P energy: -10.080
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -12.408
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -15.929
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: 6
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -199.292460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.292460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.292850 (E_RNA)
where:
Base-Base interactions energy: -144.055
where: short stacking energy: -54.494
Base-Backbone interact. energy: -0.177
local terms energy: -55.061407
where:
bonds (distance) C4'-P energy: -6.982
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -7.348
tors. eta vs tors. theta energy: -12.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -190.844345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.844345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.622769 (E_RNA)
where:
Base-Base interactions energy: -132.129
where: short stacking energy: -54.955
Base-Backbone interact. energy: -0.094
local terms energy: -59.399646
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -12.319
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -6.790
tors. eta vs tors. theta energy: -11.790
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: 10, replica: 5
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -169.249860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.249860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.366072 (E_RNA)
where:
Base-Base interactions energy: -119.695
where: short stacking energy: -46.248
Base-Backbone interact. energy: -0.040
local terms energy: -55.630886
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -9.471
flat angles C4'-P-C4' energy: -11.711
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -11.217
Dist. restrs. and SS energy: 6.116 (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: 8
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -233.278857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.278857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.298277 (E_RNA)
where:
Base-Base interactions energy: -168.598
where: short stacking energy: -63.518
Base-Backbone interact. energy: -0.161
local terms energy: -64.538594
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -5.634
tors. eta vs tors. theta energy: -16.668
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: 2
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -235.083645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.083645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.083645 (E_RNA)
where:
Base-Base interactions energy: -168.285
where: short stacking energy: -64.660
Base-Backbone interact. energy: -0.002
local terms energy: -66.796585
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -12.731
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: 3, replica: 3
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -210.938028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.938028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.938028 (E_RNA)
where:
Base-Base interactions energy: -153.143
where: short stacking energy: -62.912
Base-Backbone interact. energy: -0.456
local terms energy: -57.338905
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -12.122
flat angles C4'-P-C4' energy: -10.300
flat angles P-C4'-P energy: -6.915
tors. eta vs tors. theta energy: -16.048
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -219.780164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.780164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.841593 (E_RNA)
where:
Base-Base interactions energy: -157.465
where: short stacking energy: -64.905
Base-Backbone interact. energy: -0.177
local terms energy: -62.200132
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -4.557
tors. eta vs tors. theta energy: -17.907
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: 5, replica: 4
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -202.700829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.700829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.700829 (E_RNA)
where:
Base-Base interactions energy: -139.470
where: short stacking energy: -53.680
Base-Backbone interact. energy: -0.033
local terms energy: -63.197757
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -12.246
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -210.138663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.138663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.176048 (E_RNA)
where:
Base-Base interactions energy: -147.878
where: short stacking energy: -62.502
Base-Backbone interact. energy: -0.040
local terms energy: -62.257555
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -4.658
tors. eta vs tors. theta energy: -17.444
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: 448
Temperature: 1.200000
Total energy: -200.622744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.622744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.622744 (E_RNA)
where:
Base-Base interactions energy: -141.123
where: short stacking energy: -55.120
Base-Backbone interact. energy: -0.048
local terms energy: -59.451347
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -12.438
flat angles C4'-P-C4' energy: -10.825
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: -15.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -205.434136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.434136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.530124 (E_RNA)
where:
Base-Base interactions energy: -139.535
where: short stacking energy: -56.674
Base-Backbone interact. energy: -1.206
local terms energy: -64.788958
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: -13.779
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -183.655257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.655257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.939940 (E_RNA)
where:
Base-Base interactions energy: -130.599
where: short stacking energy: -54.697
Base-Backbone interact. energy: -0.011
local terms energy: -61.329824
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -10.246
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -15.172
Dist. restrs. and SS energy: 8.285 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -192.497163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.497163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.535369 (E_RNA)
where:
Base-Base interactions energy: -136.494
where: short stacking energy: -54.459
Base-Backbone interact. energy: -0.057
local terms energy: -55.984461
where:
bonds (distance) C4'-P energy: -9.671
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -10.638
flat angles P-C4'-P energy: -10.268
tors. eta vs tors. theta energy: -13.619
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: 8
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -224.908568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.908568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.944400 (E_RNA)
where:
Base-Base interactions energy: -162.534
where: short stacking energy: -60.666
Base-Backbone interact. energy: -0.086
local terms energy: -62.324166
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -4.910
tors. eta vs tors. theta energy: -16.106
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -231.959522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.959522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.991583 (E_RNA)
where:
Base-Base interactions energy: -173.104
where: short stacking energy: -67.688
Base-Backbone interact. energy: -0.007
local terms energy: -58.880494
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -3.108
tors. eta vs tors. theta energy: -16.591
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: 449
Temperature: 1.000000
Total energy: -222.436089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.436089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.470369 (E_RNA)
where:
Base-Base interactions energy: -161.727
where: short stacking energy: -64.457
Base-Backbone interact. energy: -0.189
local terms energy: -60.554337
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -4.786
tors. eta vs tors. theta energy: -15.302
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -216.201255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.201255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.238886 (E_RNA)
where:
Base-Base interactions energy: -155.533
where: short stacking energy: -62.455
Base-Backbone interact. energy: -0.009
local terms energy: -60.697628
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -12.890
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -10.480
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -207.521763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.521763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.607302 (E_RNA)
where:
Base-Base interactions energy: -147.334
where: short stacking energy: -57.039
Base-Backbone interact. energy: -0.347
local terms energy: -59.926301
where:
bonds (distance) C4'-P energy: -11.466
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -13.523
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -14.096
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: 449
Temperature: 1.150000
Total energy: -216.141910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.141910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.286406 (E_RNA)
where:
Base-Base interactions energy: -161.138
where: short stacking energy: -66.739
Base-Backbone interact. energy: -0.020
local terms energy: -55.128755
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -8.988
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -4.933
tors. eta vs tors. theta energy: -16.391
Dist. restrs. and SS energy: 0.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -199.008348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.008348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.151913 (E_RNA)
where:
Base-Base interactions energy: -135.505
where: short stacking energy: -54.761
Base-Backbone interact. energy: -0.156
local terms energy: -63.490534
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -12.321
flat angles C4'-P-C4' energy: -14.488
flat angles P-C4'-P energy: -7.866
tors. eta vs tors. theta energy: -15.644
Dist. restrs. and SS energy: 0.144 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -183.513305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.513305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.592578 (E_RNA)
where:
Base-Base interactions energy: -130.839
where: short stacking energy: -65.025
Base-Backbone interact. energy: -0.014
local terms energy: -60.740090
where:
bonds (distance) C4'-P energy: -9.069
bonds (distance) P-C4' energy: -13.318
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -8.704
tors. eta vs tors. theta energy: -15.244
Dist. restrs. and SS energy: 8.079 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -197.201807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.201807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.409848 (E_RNA)
where:
Base-Base interactions energy: -139.516
where: short stacking energy: -53.333
Base-Backbone interact. energy: -0.113
local terms energy: -57.780769
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -5.929
tors. eta vs tors. theta energy: -12.685
Dist. restrs. and SS energy: 0.208 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -193.545440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.545440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.637792 (E_RNA)
where:
Base-Base interactions energy: -136.422
where: short stacking energy: -53.282
Base-Backbone interact. energy: -0.126
local terms energy: -57.089404
where:
bonds (distance) C4'-P energy: -10.201
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -14.749
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -12.342
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: 1, replica: 8
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -228.280458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.280458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.293975 (E_RNA)
where:
Base-Base interactions energy: -165.673
where: short stacking energy: -64.281
Base-Backbone interact. energy: -0.123
local terms energy: -62.498526
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -11.790
flat angles P-C4'-P energy: -5.838
tors. eta vs tors. theta energy: -16.830
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -232.902924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.902924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.936979 (E_RNA)
where:
Base-Base interactions energy: -168.381
where: short stacking energy: -66.197
Base-Backbone interact. energy: -0.038
local terms energy: -64.517266
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -16.767
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -224.626571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.626571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.770463 (E_RNA)
where:
Base-Base interactions energy: -162.074
where: short stacking energy: -64.542
Base-Backbone interact. energy: -0.003
local terms energy: -62.693757
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -5.692
tors. eta vs tors. theta energy: -16.909
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: 4
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -210.983971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.983971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.035064 (E_RNA)
where:
Base-Base interactions energy: -151.647
where: short stacking energy: -60.327
Base-Backbone interact. energy: -0.019
local terms energy: -59.368453
where:
bonds (distance) C4'-P energy: -10.753
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -11.212
flat angles P-C4'-P energy: -8.009
tors. eta vs tors. theta energy: -14.816
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: 10
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -210.564442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.564442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.652170 (E_RNA)
where:
Base-Base interactions energy: -153.120
where: short stacking energy: -61.135
Base-Backbone interact. energy: 2.166
local terms energy: -59.697824
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -12.293
flat angles C4'-P-C4' energy: -12.264
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -14.421
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: 1
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -205.007473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.007473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.108651 (E_RNA)
where:
Base-Base interactions energy: -139.731
where: short stacking energy: -54.040
Base-Backbone interact. energy: -0.167
local terms energy: -65.211277
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -12.249
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -14.740
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: 6
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -199.477075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.477075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.505841 (E_RNA)
where:
Base-Base interactions energy: -137.946
where: short stacking energy: -59.210
Base-Backbone interact. energy: 0.448
local terms energy: -62.007513
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -12.079
flat angles C4'-P-C4' energy: -10.981
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -14.941
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: 5
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -177.658457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.658457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.210973 (E_RNA)
where:
Base-Base interactions energy: -128.878
where: short stacking energy: -51.794
Base-Backbone interact. energy: -0.355
local terms energy: -56.978497
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -9.706
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: -11.169
Dist. restrs. and SS energy: 8.553 (S_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: 450
Temperature: 1.300000
Total energy: -195.102185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.102185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.133323 (E_RNA)
where:
Base-Base interactions energy: -136.211
where: short stacking energy: -52.380
Base-Backbone interact. energy: -0.292
local terms energy: -58.630161
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -9.923
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -14.243
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: 9
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -197.729819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.729819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.935577 (E_RNA)
where:
Base-Base interactions energy: -136.798
where: short stacking energy: -57.229
Base-Backbone interact. energy: -0.023
local terms energy: -61.114446
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -13.156
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -12.303
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: 1, replica: 8
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -231.542870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.542870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.555111 (E_RNA)
where:
Base-Base interactions energy: -165.396
where: short stacking energy: -64.846
Base-Backbone interact. energy: 0.667
local terms energy: -66.825369
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -6.219
tors. eta vs tors. theta energy: -19.074
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -223.478667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.478667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.610816 (E_RNA)
where:
Base-Base interactions energy: -170.556
where: short stacking energy: -69.333
Base-Backbone interact. energy: 0.070
local terms energy: -53.125001
where:
bonds (distance) C4'-P energy: -8.609
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -12.342
flat angles P-C4'-P energy: -4.924
tors. eta vs tors. theta energy: -14.559
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: 3, replica: 3
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -213.746514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.746514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.746514 (E_RNA)
where:
Base-Base interactions energy: -147.777
where: short stacking energy: -60.971
Base-Backbone interact. energy: -0.321
local terms energy: -65.648902
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -11.665
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -18.257
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -213.956493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.956493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.968913 (E_RNA)
where:
Base-Base interactions energy: -149.984
where: short stacking energy: -65.936
Base-Backbone interact. energy: -0.002
local terms energy: -63.982553
where:
bonds (distance) C4'-P energy: -10.629
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -16.612
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: 4
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -210.194575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.194575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.194575 (E_RNA)
where:
Base-Base interactions energy: -147.847
where: short stacking energy: -56.813
Base-Backbone interact. energy: -0.287
local terms energy: -62.061267
where:
bonds (distance) C4'-P energy: -8.656
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -13.940
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -13.880
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -205.523113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.523113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.523113 (E_RNA)
where:
Base-Base interactions energy: -143.065
where: short stacking energy: -59.070
Base-Backbone interact. energy: -0.142
local terms energy: -62.315828
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -12.377
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -15.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -198.878997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.878997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.923861 (E_RNA)
where:
Base-Base interactions energy: -133.078
where: short stacking energy: -54.096
Base-Backbone interact. energy: -0.042
local terms energy: -65.804504
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -15.631
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: 451
Temperature: 1.250000
Total energy: -192.216324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.216324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.216324 (E_RNA)
where:
Base-Base interactions energy: -134.709
where: short stacking energy: -50.078
Base-Backbone interact. energy: 0.897
local terms energy: -58.404636
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -11.084
flat angles C4'-P-C4' energy: -13.331
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -12.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -175.537965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.537965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.757531 (E_RNA)
where:
Base-Base interactions energy: -128.324
where: short stacking energy: -50.642
Base-Backbone interact. energy: -1.002
local terms energy: -54.432054
where:
bonds (distance) C4'-P energy: -10.016
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -5.971
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -13.450
Dist. restrs. and SS energy: 8.220 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -188.172551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.172551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.308488 (E_RNA)
where:
Base-Base interactions energy: -133.169
where: short stacking energy: -49.110
Base-Backbone interact. energy: -0.202
local terms energy: -54.937996
where:
bonds (distance) C4'-P energy: -10.513
bonds (distance) P-C4' energy: -7.027
flat angles C4'-P-C4' energy: -14.997
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -13.574
Dist. restrs. and SS energy: 0.136 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -238.307480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.307480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.362798 (E_RNA)
where:
Base-Base interactions energy: -173.870
where: short stacking energy: -70.740
Base-Backbone interact. energy: -0.042
local terms energy: -64.450498
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -14.007
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -5.400
tors. eta vs tors. theta energy: -16.279
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -223.318656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.318656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.359042 (E_RNA)
where:
Base-Base interactions energy: -167.897
where: short stacking energy: -66.802
Base-Backbone interact. energy: -1.178
local terms energy: -54.284225
where:
bonds (distance) C4'-P energy: -10.684
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -3.644
tors. eta vs tors. theta energy: -12.013
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -211.243487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.243487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.297755 (E_RNA)
where:
Base-Base interactions energy: -151.643
where: short stacking energy: -60.906
Base-Backbone interact. energy: -0.316
local terms energy: -59.338637
where:
bonds (distance) C4'-P energy: -10.177
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -16.010
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: 452
Temperature: 1.050000
Total energy: -225.577415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.577415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.615006 (E_RNA)
where:
Base-Base interactions energy: -167.791
where: short stacking energy: -68.227
Base-Backbone interact. energy: -0.055
local terms energy: -57.769300
where:
bonds (distance) C4'-P energy: -10.121
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -11.415
flat angles P-C4'-P energy: -7.400
tors. eta vs tors. theta energy: -15.820
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -203.385317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.385317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.506873 (E_RNA)
where:
Base-Base interactions energy: -143.705
where: short stacking energy: -60.241
Base-Backbone interact. energy: -0.010
local terms energy: -59.791786
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -9.091
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: 452
Temperature: 1.150000
Total energy: -202.519429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.519429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.596400 (E_RNA)
where:
Base-Base interactions energy: -147.737
where: short stacking energy: -61.390
Base-Backbone interact. energy: -0.002
local terms energy: -54.857349
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -7.333
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -14.953
Dist. restrs. and SS energy: 0.077 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -221.696414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.696414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.724670 (E_RNA)
where:
Base-Base interactions energy: -162.305
where: short stacking energy: -64.056
Base-Backbone interact. energy: -0.040
local terms energy: -59.379673
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -12.238
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -6.206
tors. eta vs tors. theta energy: -15.877
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: 1
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -194.511208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.511208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.567771 (E_RNA)
where:
Base-Base interactions energy: -143.457
where: short stacking energy: -55.355
Base-Backbone interact. energy: -0.016
local terms energy: -51.095525
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -9.513
flat angles C4'-P-C4' energy: -14.187
flat angles P-C4'-P energy: -6.609
tors. eta vs tors. theta energy: -10.166
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: 9
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -195.241753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.241753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.263687 (E_RNA)
where:
Base-Base interactions energy: -131.696
where: short stacking energy: -51.592
Base-Backbone interact. energy: -0.540
local terms energy: -63.028116
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -12.751
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -169.389127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.389127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.948623 (E_RNA)
where:
Base-Base interactions energy: -122.726
where: short stacking energy: -46.612
Base-Backbone interact. energy: -1.087
local terms energy: -54.135572
where:
bonds (distance) C4'-P energy: -10.202
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -11.282
flat angles P-C4'-P energy: -6.377
tors. eta vs tors. theta energy: -10.271
Dist. restrs. and SS energy: 8.559 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -231.913177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.913177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.923001 (E_RNA)
where:
Base-Base interactions energy: -176.575
where: short stacking energy: -72.860
Base-Backbone interact. energy: 0.289
local terms energy: -55.637288
where:
bonds (distance) C4'-P energy: -11.821
bonds (distance) P-C4' energy: -11.726
flat angles C4'-P-C4' energy: -10.505
flat angles P-C4'-P energy: -4.631
tors. eta vs tors. theta energy: -16.954
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: 453
Temperature: 0.950000
Total energy: -232.524624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.524624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.533258 (E_RNA)
where:
Base-Base interactions energy: -173.440
where: short stacking energy: -66.458
Base-Backbone interact. energy: -0.026
local terms energy: -59.067671
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -4.767
tors. eta vs tors. theta energy: -15.192
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -217.374617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.374617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.389683 (E_RNA)
where:
Base-Base interactions energy: -158.498
where: short stacking energy: -61.870
Base-Backbone interact. energy: -0.002
local terms energy: -58.889805
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -12.670
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -6.524
tors. eta vs tors. theta energy: -14.691
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: 3
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -225.373505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.373505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.510038 (E_RNA)
where:
Base-Base interactions energy: -163.377
where: short stacking energy: -65.016
Base-Backbone interact. energy: -0.075
local terms energy: -62.057312
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -12.167
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -5.475
tors. eta vs tors. theta energy: -16.262
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -205.049704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.049704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.215801 (E_RNA)
where:
Base-Base interactions energy: -148.833
where: short stacking energy: -61.027
Base-Backbone interact. energy: -0.003
local terms energy: -56.379527
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -5.536
tors. eta vs tors. theta energy: -16.396
Dist. restrs. and SS energy: 0.166 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -207.468523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.468523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.562029 (E_RNA)
where:
Base-Base interactions energy: -145.348
where: short stacking energy: -58.591
Base-Backbone interact. energy: -0.008
local terms energy: -62.205983
where:
bonds (distance) C4'-P energy: -9.218
bonds (distance) P-C4' energy: -11.225
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -18.002
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: 4
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -195.243496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.243496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.350135 (E_RNA)
where:
Base-Base interactions energy: -142.427
where: short stacking energy: -56.516
Base-Backbone interact. energy: -0.317
local terms energy: -52.605720
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -5.911
tors. eta vs tors. theta energy: -7.902
Dist. restrs. and SS energy: 0.107 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -195.664251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.664251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.781017 (E_RNA)
where:
Base-Base interactions energy: -135.110
where: short stacking energy: -53.852
Base-Backbone interact. energy: -0.168
local terms energy: -60.503503
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -14.308
Dist. restrs. and SS energy: 0.117 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -198.678023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.678023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.793262 (E_RNA)
where:
Base-Base interactions energy: -143.992
where: short stacking energy: -58.399
Base-Backbone interact. energy: -0.102
local terms energy: -54.699161
where:
bonds (distance) C4'-P energy: -9.979
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -12.697
flat angles P-C4'-P energy: -8.254
tors. eta vs tors. theta energy: -10.185
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: 5
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -175.890650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.890650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.053725 (E_RNA)
where:
Base-Base interactions energy: -119.959
where: short stacking energy: -53.783
Base-Backbone interact. energy: -0.127
local terms energy: -62.967477
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -13.584
flat angles C4'-P-C4' energy: -13.335
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -16.089
Dist. restrs. and SS energy: 7.163 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -230.328439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.328439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.339284 (E_RNA)
where:
Base-Base interactions energy: -165.354
where: short stacking energy: -61.280
Base-Backbone interact. energy: -0.008
local terms energy: -64.977339
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -5.065
tors. eta vs tors. theta energy: -16.745
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: 8
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -227.389579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.389579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.706930 (E_RNA)
where:
Base-Base interactions energy: -161.216
where: short stacking energy: -64.189
Base-Backbone interact. energy: -0.003
local terms energy: -66.487901
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -13.995
flat angles P-C4'-P energy: -4.707
tors. eta vs tors. theta energy: -19.073
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: 10
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -235.755854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.755854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.803332 (E_RNA)
where:
Base-Base interactions energy: -172.573
where: short stacking energy: -66.999
Base-Backbone interact. energy: -0.006
local terms energy: -63.224601
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -5.600
tors. eta vs tors. theta energy: -15.944
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -221.744136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.744136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.744136 (E_RNA)
where:
Base-Base interactions energy: -159.539
where: short stacking energy: -61.286
Base-Backbone interact. energy: -0.017
local terms energy: -62.188424
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -14.255
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -211.856444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.856444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.872663 (E_RNA)
where:
Base-Base interactions energy: -148.028
where: short stacking energy: -56.857
Base-Backbone interact. energy: -0.087
local terms energy: -63.757706
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -6.706
tors. eta vs tors. theta energy: -17.654
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -212.901991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.901991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.915701 (E_RNA)
where:
Base-Base interactions energy: -150.609
where: short stacking energy: -62.277
Base-Backbone interact. energy: -0.007
local terms energy: -62.299028
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -11.159
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -17.329
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: 454
Temperature: 1.200000
Total energy: -206.721052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.721052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.932614 (E_RNA)
where:
Base-Base interactions energy: -155.691
where: short stacking energy: -58.243
Base-Backbone interact. energy: -0.304
local terms energy: -50.938249
where:
bonds (distance) C4'-P energy: -5.690
bonds (distance) P-C4' energy: -11.044
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -4.761
tors. eta vs tors. theta energy: -14.015
Dist. restrs. and SS energy: 0.212 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -203.403319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.403319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.458232 (E_RNA)
where:
Base-Base interactions energy: -135.975
where: short stacking energy: -58.075
Base-Backbone interact. energy: -0.179
local terms energy: -67.304408
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -12.221
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -18.468
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: 1
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -193.874506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.874506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.059333 (E_RNA)
where:
Base-Base interactions energy: -135.274
where: short stacking energy: -52.124
Base-Backbone interact. energy: -0.013
local terms energy: -58.772112
where:
bonds (distance) C4'-P energy: -10.310
bonds (distance) P-C4' energy: -10.675
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -15.529
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: 10, replica: 5
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -175.193447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.193447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.217352 (E_RNA)
where:
Base-Base interactions energy: -123.231
where: short stacking energy: -48.895
Base-Backbone interact. energy: -1.302
local terms energy: -57.684396
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -8.072
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -12.173
Dist. restrs. and SS energy: 7.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -231.873573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.873573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.885288 (E_RNA)
where:
Base-Base interactions energy: -169.253
where: short stacking energy: -68.451
Base-Backbone interact. energy: -0.011
local terms energy: -62.620816
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -5.013
tors. eta vs tors. theta energy: -17.205
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -235.499965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.499965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.499965 (E_RNA)
where:
Base-Base interactions energy: -168.950
where: short stacking energy: -63.089
Base-Backbone interact. energy: -0.213
local terms energy: -66.337603
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -6.480
tors. eta vs tors. theta energy: -15.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -233.085339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.085339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.087572 (E_RNA)
where:
Base-Base interactions energy: -168.725
where: short stacking energy: -67.591
Base-Backbone interact. energy: -0.711
local terms energy: -63.651842
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -13.209
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -15.933
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -209.089399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.089399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.120928 (E_RNA)
where:
Base-Base interactions energy: -152.172
where: short stacking energy: -55.358
Base-Backbone interact. energy: -0.131
local terms energy: -56.817778
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -8.397
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -12.978
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: 3
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -205.659557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.659557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.698825 (E_RNA)
where:
Base-Base interactions energy: -142.186
where: short stacking energy: -61.970
Base-Backbone interact. energy: -0.164
local terms energy: -63.348802
where:
bonds (distance) C4'-P energy: -10.894
bonds (distance) P-C4' energy: -13.947
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -13.519
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -214.349937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.349937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.405372 (E_RNA)
where:
Base-Base interactions energy: -154.027
where: short stacking energy: -58.039
Base-Backbone interact. energy: -0.030
local terms energy: -60.348267
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -14.912
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -212.507827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.507827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.584222 (E_RNA)
where:
Base-Base interactions energy: -151.790
where: short stacking energy: -55.929
Base-Backbone interact. energy: -0.475
local terms energy: -60.318640
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -10.385
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: -14.811
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -202.791243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.791243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.791243 (E_RNA)
where:
Base-Base interactions energy: -140.274
where: short stacking energy: -52.938
Base-Backbone interact. energy: -0.126
local terms energy: -62.390779
where:
bonds (distance) C4'-P energy: -9.801
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -16.953
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -193.687880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.687880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.703175 (E_RNA)
where:
Base-Base interactions energy: -134.443
where: short stacking energy: -53.014
Base-Backbone interact. energy: -0.000
local terms energy: -59.259625
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -16.574
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: 5
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -163.988966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.988966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.971687 (E_RNA)
where:
Base-Base interactions energy: -115.701
where: short stacking energy: -49.234
Base-Backbone interact. energy: -0.032
local terms energy: -57.239318
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -12.550
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: -10.295
Dist. restrs. and SS energy: 8.983 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -228.837497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.837497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.851283 (E_RNA)
where:
Base-Base interactions energy: -165.053
where: short stacking energy: -68.442
Base-Backbone interact. energy: -0.240
local terms energy: -63.558452
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -6.050
tors. eta vs tors. theta energy: -17.279
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -222.252977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.252977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.443195 (E_RNA)
where:
Base-Base interactions energy: -166.044
where: short stacking energy: -62.651
Base-Backbone interact. energy: -0.137
local terms energy: -56.262014
where:
bonds (distance) C4'-P energy: -12.683
bonds (distance) P-C4' energy: -12.695
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -2.987
tors. eta vs tors. theta energy: -15.418
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: 7
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -212.481580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.481580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.574912 (E_RNA)
where:
Base-Base interactions energy: -146.951
where: short stacking energy: -61.269
Base-Backbone interact. energy: -0.003
local terms energy: -65.621586
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -15.779
Dist. restrs. and SS energy: 0.093 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -229.882773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.882773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.884804 (E_RNA)
where:
Base-Base interactions energy: -161.943
where: short stacking energy: -61.519
Base-Backbone interact. energy: -0.803
local terms energy: -67.138787
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -3.469
tors. eta vs tors. theta energy: -18.229
Dist. restrs. and SS energy: 0.002 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -203.644507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.644507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.780493 (E_RNA)
where:
Base-Base interactions energy: -135.232
where: short stacking energy: -57.645
Base-Backbone interact. energy: -0.002
local terms energy: -68.546702
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -16.319
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: 3
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -208.126254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.126254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.220155 (E_RNA)
where:
Base-Base interactions energy: -144.972
where: short stacking energy: -60.122
Base-Backbone interact. energy: -0.000
local terms energy: -63.247894
where:
bonds (distance) C4'-P energy: -6.236
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -19.183
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: 4
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -198.567057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.567057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.597578 (E_RNA)
where:
Base-Base interactions energy: -139.407
where: short stacking energy: -52.409
Base-Backbone interact. energy: -0.183
local terms energy: -59.007756
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -11.130
flat angles P-C4'-P energy: -6.071
tors. eta vs tors. theta energy: -14.967
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: 6
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -204.126125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.126125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.204655 (E_RNA)
where:
Base-Base interactions energy: -144.466
where: short stacking energy: -54.331
Base-Backbone interact. energy: -0.000
local terms energy: -59.738771
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -11.245
flat angles P-C4'-P energy: -5.301
tors. eta vs tors. theta energy: -16.311
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: 1
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -186.642403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.642403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.790237 (E_RNA)
where:
Base-Base interactions energy: -132.186
where: short stacking energy: -50.202
Base-Backbone interact. energy: -0.176
local terms energy: -54.427703
where:
bonds (distance) C4'-P energy: -10.750
bonds (distance) P-C4' energy: -10.439
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -9.791
tors. eta vs tors. theta energy: -9.380
Dist. restrs. and SS energy: 0.148 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -172.240789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.240789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.586746 (E_RNA)
where:
Base-Base interactions energy: -125.079
where: short stacking energy: -52.415
Base-Backbone interact. energy: -0.002
local terms energy: -55.505212
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -7.120
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: -16.692
Dist. restrs. and SS energy: 8.346 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -233.362959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.362959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.362959 (E_RNA)
where:
Base-Base interactions energy: -158.135
where: short stacking energy: -67.126
Base-Backbone interact. energy: -0.001
local terms energy: -75.226392
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -18.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -217.369701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.369701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.640461 (E_RNA)
where:
Base-Base interactions energy: -153.281
where: short stacking energy: -62.980
Base-Backbone interact. energy: -0.138
local terms energy: -64.221284
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -11.957
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -17.585
Dist. restrs. and SS energy: 0.271 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -212.914437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.914437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.971953 (E_RNA)
where:
Base-Base interactions energy: -146.091
where: short stacking energy: -58.055
Base-Backbone interact. energy: -0.004
local terms energy: -66.876863
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -14.297
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: 9
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -212.036831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.036831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.064009 (E_RNA)
where:
Base-Base interactions energy: -145.650
where: short stacking energy: -59.769
Base-Backbone interact. energy: 0.765
local terms energy: -67.179012
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -14.380
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: 8
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -208.870092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.870092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.002676 (E_RNA)
where:
Base-Base interactions energy: -145.330
where: short stacking energy: -57.611
Base-Backbone interact. energy: -0.056
local terms energy: -63.617032
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -13.305
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -15.858
Dist. restrs. and SS energy: 0.133 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -207.660096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.660096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.758241 (E_RNA)
where:
Base-Base interactions energy: -151.648
where: short stacking energy: -58.917
Base-Backbone interact. energy: -0.156
local terms energy: -55.954131
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -10.400
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -5.430
tors. eta vs tors. theta energy: -12.135
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: 3
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -200.972866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.972866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.033532 (E_RNA)
where:
Base-Base interactions energy: -140.071
where: short stacking energy: -53.192
Base-Backbone interact. energy: -0.095
local terms energy: -60.867654
where:
bonds (distance) C4'-P energy: -10.931
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -13.683
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: 6
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -204.427636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.427636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.605965 (E_RNA)
where:
Base-Base interactions energy: -143.762
where: short stacking energy: -57.842
Base-Backbone interact. energy: -0.211
local terms energy: -60.632556
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -9.713
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -14.252
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: 1
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -197.385355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.385355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.452648 (E_RNA)
where:
Base-Base interactions energy: -139.580
where: short stacking energy: -56.552
Base-Backbone interact. energy: -0.012
local terms energy: -57.861261
where:
bonds (distance) C4'-P energy: -9.745
bonds (distance) P-C4' energy: -10.486
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -13.307
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: 457
Temperature: 1.350000
Total energy: -171.332497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.332497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.220882 (E_RNA)
where:
Base-Base interactions energy: -122.519
where: short stacking energy: -55.836
Base-Backbone interact. energy: 0.347
local terms energy: -60.048891
where:
bonds (distance) C4'-P energy: -9.064
bonds (distance) P-C4' energy: -12.090
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -12.600
Dist. restrs. and SS energy: 10.888 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -220.551533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.551533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.591537 (E_RNA)
where:
Base-Base interactions energy: -157.102
where: short stacking energy: -62.564
Base-Backbone interact. energy: -0.278
local terms energy: -63.212173
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -7.244
tors. eta vs tors. theta energy: -15.385
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: 458
Temperature: 0.950000
Total energy: -233.731080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.731080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.801815 (E_RNA)
where:
Base-Base interactions energy: -166.516
where: short stacking energy: -67.884
Base-Backbone interact. energy: -0.615
local terms energy: -66.670190
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -7.100
tors. eta vs tors. theta energy: -16.749
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: 9
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -219.895988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.895988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.895988 (E_RNA)
where:
Base-Base interactions energy: -152.889
where: short stacking energy: -62.294
Base-Backbone interact. energy: -0.001
local terms energy: -67.006069
where:
bonds (distance) C4'-P energy: -8.312
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -16.622
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -204.841729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.841729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.921943 (E_RNA)
where:
Base-Base interactions energy: -147.942
where: short stacking energy: -57.660
Base-Backbone interact. energy: -0.295
local terms energy: -56.685080
where:
bonds (distance) C4'-P energy: -8.985
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -10.064
Dist. restrs. and SS energy: 0.080 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -210.877916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.877916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.943148 (E_RNA)
where:
Base-Base interactions energy: -145.880
where: short stacking energy: -61.099
Base-Backbone interact. energy: -0.081
local terms energy: -64.981480
where:
bonds (distance) C4'-P energy: -8.410
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -17.267
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: 8
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -207.970766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.970766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.058532 (E_RNA)
where:
Base-Base interactions energy: -145.078
where: short stacking energy: -59.862
Base-Backbone interact. energy: -0.002
local terms energy: -62.977915
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -11.094
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: -15.786
Dist. restrs. and SS energy: 0.088 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -199.482214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.482214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.516687 (E_RNA)
where:
Base-Base interactions energy: -136.510
where: short stacking energy: -54.242
Base-Backbone interact. energy: -0.039
local terms energy: -62.967192
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -13.141
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: 3
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -196.472482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.472482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.494567 (E_RNA)
where:
Base-Base interactions energy: -133.956
where: short stacking energy: -51.620
Base-Backbone interact. energy: 0.369
local terms energy: -62.907433
where:
bonds (distance) C4'-P energy: -11.051
bonds (distance) P-C4' energy: -11.461
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -16.257
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: 1
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -201.763134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.763134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.763134 (E_RNA)
where:
Base-Base interactions energy: -149.057
where: short stacking energy: -56.248
Base-Backbone interact. energy: 0.135
local terms energy: -52.841712
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -11.430
flat angles C4'-P-C4' energy: -7.998
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -15.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -172.660635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.660635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.370391 (E_RNA)
where:
Base-Base interactions energy: -125.468
where: short stacking energy: -53.854
Base-Backbone interact. energy: 1.144
local terms energy: -57.046749
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -12.924
flat angles P-C4'-P energy: -4.694
tors. eta vs tors. theta energy: -15.254
Dist. restrs. and SS energy: 8.710 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -215.157586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.157586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.194973 (E_RNA)
where:
Base-Base interactions energy: -150.273
where: short stacking energy: -65.905
Base-Backbone interact. energy: 2.222
local terms energy: -67.143723
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -13.348
Dist. restrs. and SS energy: 0.037 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -240.267137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.267137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.267137 (E_RNA)
where:
Base-Base interactions energy: -177.613
where: short stacking energy: -73.705
Base-Backbone interact. energy: -0.001
local terms energy: -62.653353
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -2.075
tors. eta vs tors. theta energy: -20.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -216.243865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.243865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.259578 (E_RNA)
where:
Base-Base interactions energy: -162.270
where: short stacking energy: -61.028
Base-Backbone interact. energy: -0.052
local terms energy: -53.937122
where:
bonds (distance) C4'-P energy: -10.128
bonds (distance) P-C4' energy: -12.210
flat angles C4'-P-C4' energy: -12.355
flat angles P-C4'-P energy: -4.524
tors. eta vs tors. theta energy: -14.720
Dist. restrs. and SS energy: 0.016 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -212.412392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.412392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.414446 (E_RNA)
where:
Base-Base interactions energy: -146.577
where: short stacking energy: -56.821
Base-Backbone interact. energy: -0.019
local terms energy: -65.818567
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -12.641
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: -19.822
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: 459
Temperature: 1.100000
Total energy: -207.388652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.388652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.451016 (E_RNA)
where:
Base-Base interactions energy: -142.684
where: short stacking energy: -52.989
Base-Backbone interact. energy: -0.031
local terms energy: -64.735246
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -14.544
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: -14.889
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -206.867038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.867038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.874666 (E_RNA)
where:
Base-Base interactions energy: -148.113
where: short stacking energy: -62.439
Base-Backbone interact. energy: -0.165
local terms energy: -58.597094
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -8.526
flat angles C4'-P-C4' energy: -8.761
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -15.707
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: 459
Temperature: 1.200000
Total energy: -204.058124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.058124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.099162 (E_RNA)
where:
Base-Base interactions energy: -151.406
where: short stacking energy: -57.643
Base-Backbone interact. energy: -0.185
local terms energy: -52.507997
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -7.510
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -4.896
tors. eta vs tors. theta energy: -13.158
Dist. restrs. and SS energy: 0.041 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -198.956579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.956579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.041422 (E_RNA)
where:
Base-Base interactions energy: -143.617
where: short stacking energy: -52.685
Base-Backbone interact. energy: 0.287
local terms energy: -55.712013
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -11.222
flat angles C4'-P-C4' energy: -10.375
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -14.894
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: 1
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -202.073669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.073669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.172668 (E_RNA)
where:
Base-Base interactions energy: -141.334
where: short stacking energy: -59.212
Base-Backbone interact. energy: -0.310
local terms energy: -60.528746
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -12.669
flat angles C4'-P-C4' energy: -13.613
flat angles P-C4'-P energy: -6.301
tors. eta vs tors. theta energy: -16.733
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -173.919368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.919368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.430021 (E_RNA)
where:
Base-Base interactions energy: -127.351
where: short stacking energy: -55.563
Base-Backbone interact. energy: 0.005
local terms energy: -54.084566
where:
bonds (distance) C4'-P energy: -7.400
bonds (distance) P-C4' energy: -11.613
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -13.465
Dist. restrs. and SS energy: 7.511 (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: 2
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -234.156359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.156359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.272379 (E_RNA)
where:
Base-Base interactions energy: -172.292
where: short stacking energy: -69.135
Base-Backbone interact. energy: -0.431
local terms energy: -61.549281
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -6.012
tors. eta vs tors. theta energy: -17.635
Dist. restrs. and SS energy: 0.116 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -229.999470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.999470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.003203 (E_RNA)
where:
Base-Base interactions energy: -165.270
where: short stacking energy: -65.103
Base-Backbone interact. energy: -0.005
local terms energy: -64.727414
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -6.670
tors. eta vs tors. theta energy: -14.906
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: 460
Temperature: 1.000000
Total energy: -212.786899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.786899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.900293 (E_RNA)
where:
Base-Base interactions energy: -150.578
where: short stacking energy: -62.651
Base-Backbone interact. energy: -0.004
local terms energy: -62.317484
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -11.312
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -6.280
tors. eta vs tors. theta energy: -16.532
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -213.961442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.961442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.961442 (E_RNA)
where:
Base-Base interactions energy: -152.159
where: short stacking energy: -63.308
Base-Backbone interact. energy: -0.019
local terms energy: -61.784140
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -10.237
flat angles P-C4'-P energy: -7.006
tors. eta vs tors. theta energy: -18.336
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -208.882341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.882341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.026912 (E_RNA)
where:
Base-Base interactions energy: -142.552
where: short stacking energy: -64.045
Base-Backbone interact. energy: -0.001
local terms energy: -66.473462
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -17.768
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: 10
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -210.839111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.839111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.862622 (E_RNA)
where:
Base-Base interactions energy: -150.381
where: short stacking energy: -64.047
Base-Backbone interact. energy: -0.004
local terms energy: -60.477789
where:
bonds (distance) C4'-P energy: -10.559
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -13.721
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -211.484579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.484579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.484579 (E_RNA)
where:
Base-Base interactions energy: -158.683
where: short stacking energy: -56.974
Base-Backbone interact. energy: -0.558
local terms energy: -52.243993
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -9.664
flat angles P-C4'-P energy: 1.004
tors. eta vs tors. theta energy: -17.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -197.616754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.616754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.621768 (E_RNA)
where:
Base-Base interactions energy: -141.060
where: short stacking energy: -50.602
Base-Backbone interact. energy: 1.311
local terms energy: -57.872521
where:
bonds (distance) C4'-P energy: -11.727
bonds (distance) P-C4' energy: -12.618
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -4.245
tors. eta vs tors. theta energy: -16.100
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: 460
Temperature: 1.300000
Total energy: -177.983989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.983989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.892327 (E_RNA)
where:
Base-Base interactions energy: -129.296
where: short stacking energy: -52.953
Base-Backbone interact. energy: -0.034
local terms energy: -55.562075
where:
bonds (distance) C4'-P energy: -11.747
bonds (distance) P-C4' energy: -9.048
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -6.087
tors. eta vs tors. theta energy: -14.522
Dist. restrs. and SS energy: 6.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -184.903094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.903094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.076641 (E_RNA)
where:
Base-Base interactions energy: -129.473
where: short stacking energy: -52.459
Base-Backbone interact. energy: -0.528
local terms energy: -55.074798
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -11.765
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -10.508
Dist. restrs. and SS energy: 0.174 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -241.721457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.721457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.733330 (E_RNA)
where:
Base-Base interactions energy: -179.224
where: short stacking energy: -72.467
Base-Backbone interact. energy: -0.000
local terms energy: -62.508962
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -3.358
tors. eta vs tors. theta energy: -17.002
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -213.853145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.853145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.870733 (E_RNA)
where:
Base-Base interactions energy: -150.879
where: short stacking energy: -62.172
Base-Backbone interact. energy: 0.467
local terms energy: -63.458402
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -12.443
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -224.161297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.161297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.161927 (E_RNA)
where:
Base-Base interactions energy: -164.806
where: short stacking energy: -63.361
Base-Backbone interact. energy: -0.133
local terms energy: -59.223651
where:
bonds (distance) C4'-P energy: -12.193
bonds (distance) P-C4' energy: -12.900
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -5.095
tors. eta vs tors. theta energy: -13.924
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -211.261543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.261543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.378524 (E_RNA)
where:
Base-Base interactions energy: -148.981
where: short stacking energy: -59.600
Base-Backbone interact. energy: -0.029
local terms energy: -62.368859
where:
bonds (distance) C4'-P energy: -16.408
bonds (distance) P-C4' energy: -11.597
flat angles C4'-P-C4' energy: -12.078
flat angles P-C4'-P energy: -7.245
tors. eta vs tors. theta energy: -15.041
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: 9
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -217.281071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.281071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.314879 (E_RNA)
where:
Base-Base interactions energy: -162.363
where: short stacking energy: -63.459
Base-Backbone interact. energy: -0.809
local terms energy: -54.142355
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -10.802
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -1.016
tors. eta vs tors. theta energy: -16.547
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -211.975253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.975253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.020053 (E_RNA)
where:
Base-Base interactions energy: -141.582
where: short stacking energy: -60.769
Base-Backbone interact. energy: -0.219
local terms energy: -70.218453
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -19.241
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: 10
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -202.026581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.026581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.054480 (E_RNA)
where:
Base-Base interactions energy: -152.673
where: short stacking energy: -62.203
Base-Backbone interact. energy: -0.009
local terms energy: -49.372410
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -8.475
flat angles C4'-P-C4' energy: -8.341
flat angles P-C4'-P energy: -6.081
tors. eta vs tors. theta energy: -14.319
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -191.746352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.746352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.191423 (E_RNA)
where:
Base-Base interactions energy: -133.175
where: short stacking energy: -59.855
Base-Backbone interact. energy: -0.891
local terms energy: -65.125976
where:
bonds (distance) C4'-P energy: -10.132
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -17.713
Dist. restrs. and SS energy: 7.445 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -199.985954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.985954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.069419 (E_RNA)
where:
Base-Base interactions energy: -140.479
where: short stacking energy: -54.811
Base-Backbone interact. energy: -0.169
local terms energy: -59.422219
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -13.345
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -11.571
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: 1
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -215.047911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.047911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.270648 (E_RNA)
where:
Base-Base interactions energy: -154.338
where: short stacking energy: -59.372
Base-Backbone interact. energy: -0.492
local terms energy: -60.440303
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -6.161
tors. eta vs tors. theta energy: -17.216
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: 1, replica: 4
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -218.787429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.787429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.798610 (E_RNA)
where:
Base-Base interactions energy: -152.468
where: short stacking energy: -63.764
Base-Backbone interact. energy: -0.122
local terms energy: -66.208095
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -15.325
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: 462
Temperature: 0.950000
Total energy: -228.413604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.413604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.474159 (E_RNA)
where:
Base-Base interactions energy: -168.884
where: short stacking energy: -67.527
Base-Backbone interact. energy: -0.088
local terms energy: -59.501966
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -9.920
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -4.692
tors. eta vs tors. theta energy: -18.999
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -233.677082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.677082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.785299 (E_RNA)
where:
Base-Base interactions energy: -172.319
where: short stacking energy: -71.159
Base-Backbone interact. energy: -0.817
local terms energy: -60.649384
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -13.133
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -4.141
tors. eta vs tors. theta energy: -18.719
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: 6
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -215.408691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.408691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.408691 (E_RNA)
where:
Base-Base interactions energy: -150.569
where: short stacking energy: -63.373
Base-Backbone interact. energy: -0.596
local terms energy: -64.244246
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -5.507
tors. eta vs tors. theta energy: -17.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -207.929094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.929094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.967356 (E_RNA)
where:
Base-Base interactions energy: -143.504
where: short stacking energy: -59.395
Base-Backbone interact. energy: -0.036
local terms energy: -64.426735
where:
bonds (distance) C4'-P energy: -13.828
bonds (distance) P-C4' energy: -11.956
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -15.807
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -206.995716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.995716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.016210 (E_RNA)
where:
Base-Base interactions energy: -155.847
where: short stacking energy: -59.898
Base-Backbone interact. energy: -0.001
local terms energy: -51.167859
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -6.661
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -4.246
tors. eta vs tors. theta energy: -13.887
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -198.137866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.137866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.206539 (E_RNA)
where:
Base-Base interactions energy: -135.415
where: short stacking energy: -54.332
Base-Backbone interact. energy: -0.014
local terms energy: -62.777492
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -11.916
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -13.095
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: 462
Temperature: 1.250000
Total energy: -178.945027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.945027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.686811 (E_RNA)
where:
Base-Base interactions energy: -131.461
where: short stacking energy: -49.314
Base-Backbone interact. energy: -0.285
local terms energy: -55.940793
where:
bonds (distance) C4'-P energy: -10.144
bonds (distance) P-C4' energy: -11.978
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -11.663
Dist. restrs. and SS energy: 8.742 (S_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: 462
Temperature: 1.300000
Total energy: -197.696791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.696791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.767466 (E_RNA)
where:
Base-Base interactions energy: -139.549
where: short stacking energy: -60.683
Base-Backbone interact. energy: -0.091
local terms energy: -58.127136
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -5.123
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -14.582
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: 3
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -198.752364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.752364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.874660 (E_RNA)
where:
Base-Base interactions energy: -139.839
where: short stacking energy: -52.948
Base-Backbone interact. energy: 0.002
local terms energy: -59.038256
where:
bonds (distance) C4'-P energy: -9.787
bonds (distance) P-C4' energy: -10.545
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -13.910
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -215.290426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.290426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.399360 (E_RNA)
where:
Base-Base interactions energy: -151.495
where: short stacking energy: -58.022
Base-Backbone interact. energy: -0.001
local terms energy: -63.902827
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -10.075
tors. eta vs tors. theta energy: -12.686
Dist. restrs. and SS energy: 0.109 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -231.069052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.069052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.081858 (E_RNA)
where:
Base-Base interactions energy: -164.906
where: short stacking energy: -60.519
Base-Backbone interact. energy: -0.705
local terms energy: -65.470459
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -13.894
flat angles C4'-P-C4' energy: -15.535
flat angles P-C4'-P energy: -5.193
tors. eta vs tors. theta energy: -16.667
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -223.948090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.948090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.948090 (E_RNA)
where:
Base-Base interactions energy: -160.710
where: short stacking energy: -62.176
Base-Backbone interact. energy: -0.050
local terms energy: -63.187998
where:
bonds (distance) C4'-P energy: -9.564
bonds (distance) P-C4' energy: -13.974
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: -16.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -209.011688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.011688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.071472 (E_RNA)
where:
Base-Base interactions energy: -147.670
where: short stacking energy: -59.881
Base-Backbone interact. energy: -0.003
local terms energy: -61.398744
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -9.666
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: -16.683
Dist. restrs. and SS energy: 0.060 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -206.214885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.214885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.234747 (E_RNA)
where:
Base-Base interactions energy: -141.138
where: short stacking energy: -57.149
Base-Backbone interact. energy: -0.471
local terms energy: -64.625847
where:
bonds (distance) C4'-P energy: -12.905
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -13.195
flat angles P-C4'-P energy: -9.315
tors. eta vs tors. theta energy: -15.115
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: 10
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -204.802119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.802119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.863801 (E_RNA)
where:
Base-Base interactions energy: -138.150
where: short stacking energy: -58.551
Base-Backbone interact. energy: -0.342
local terms energy: -66.372520
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -15.857
Dist. restrs. and SS energy: 0.062 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -197.582190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.582190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.763761 (E_RNA)
where:
Base-Base interactions energy: -134.200
where: short stacking energy: -57.650
Base-Backbone interact. energy: -0.000
local terms energy: -63.563215
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -10.167
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -17.249
Dist. restrs. and SS energy: 0.182 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -202.699475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.699475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.699475 (E_RNA)
where:
Base-Base interactions energy: -140.817
where: short stacking energy: -55.525
Base-Backbone interact. energy: 0.087
local terms energy: -61.969192
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -12.899
flat angles C4'-P-C4' energy: -11.221
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -17.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -175.011859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.011859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.763996 (E_RNA)
where:
Base-Base interactions energy: -120.889
where: short stacking energy: -54.061
Base-Backbone interact. energy: -0.070
local terms energy: -61.805210
where:
bonds (distance) C4'-P energy: -9.933
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -13.238
Dist. restrs. and SS energy: 7.752 (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: 3
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -185.124900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.124900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.144864 (E_RNA)
where:
Base-Base interactions energy: -137.859
where: short stacking energy: -50.370
Base-Backbone interact. energy: 0.153
local terms energy: -47.439529
where:
bonds (distance) C4'-P energy: -4.691
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -6.520
tors. eta vs tors. theta energy: -8.312
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: 2
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -230.935184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.935184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.935184 (E_RNA)
where:
Base-Base interactions energy: -170.616
where: short stacking energy: -67.191
Base-Backbone interact. energy: -0.440
local terms energy: -59.879130
where:
bonds (distance) C4'-P energy: -12.404
bonds (distance) P-C4' energy: -11.740
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -5.575
tors. eta vs tors. theta energy: -14.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -219.976986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.976986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.986482 (E_RNA)
where:
Base-Base interactions energy: -155.118
where: short stacking energy: -64.915
Base-Backbone interact. energy: -0.000
local terms energy: -64.868201
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -12.303
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: -13.433
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -211.555600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.555600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.556644 (E_RNA)
where:
Base-Base interactions energy: -153.499
where: short stacking energy: -57.397
Base-Backbone interact. energy: -0.020
local terms energy: -58.036685
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -10.084
flat angles P-C4'-P energy: -5.731
tors. eta vs tors. theta energy: -14.132
Dist. restrs. and SS energy: 0.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -212.557738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.557738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.577287 (E_RNA)
where:
Base-Base interactions energy: -147.108
where: short stacking energy: -63.205
Base-Backbone interact. energy: -0.001
local terms energy: -65.468950
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -9.648
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -19.074
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: 10
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -214.381217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.381217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.422959 (E_RNA)
where:
Base-Base interactions energy: -157.174
where: short stacking energy: -65.342
Base-Backbone interact. energy: -0.002
local terms energy: -57.247044
where:
bonds (distance) C4'-P energy: -9.098
bonds (distance) P-C4' energy: -13.569
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -5.567
tors. eta vs tors. theta energy: -15.231
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: 464
Temperature: 1.150000
Total energy: -205.329875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.329875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.531804 (E_RNA)
where:
Base-Base interactions energy: -138.505
where: short stacking energy: -60.183
Base-Backbone interact. energy: -0.001
local terms energy: -67.025998
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -16.602
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: 7, replica: 1
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -195.460124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.460124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.552288 (E_RNA)
where:
Base-Base interactions energy: -142.855
where: short stacking energy: -55.719
Base-Backbone interact. energy: -0.028
local terms energy: -52.669965
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -12.737
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -8.556
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: 9
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -201.081401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.081401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.258958 (E_RNA)
where:
Base-Base interactions energy: -137.212
where: short stacking energy: -58.567
Base-Backbone interact. energy: -0.222
local terms energy: -63.825431
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -5.958
tors. eta vs tors. theta energy: -17.461
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: 5
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -171.480584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.480584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.872063 (E_RNA)
where:
Base-Base interactions energy: -124.798
where: short stacking energy: -54.672
Base-Backbone interact. energy: 0.220
local terms energy: -55.294409
where:
bonds (distance) C4'-P energy: -8.509
bonds (distance) P-C4' energy: -13.363
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -9.594
Dist. restrs. and SS energy: 8.391 (S_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: 464
Temperature: 1.350000
Total energy: -201.018402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.018402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.027901 (E_RNA)
where:
Base-Base interactions energy: -140.044
where: short stacking energy: -55.791
Base-Backbone interact. energy: -0.013
local terms energy: -60.970172
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -11.942
flat angles C4'-P-C4' energy: -13.113
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -12.747
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: 465
Temperature: 0.900000
Total energy: -229.334922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.334922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.353139 (E_RNA)
where:
Base-Base interactions energy: -167.008
where: short stacking energy: -64.142
Base-Backbone interact. energy: -0.225
local terms energy: -62.120787
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -12.675
flat angles P-C4'-P energy: -4.234
tors. eta vs tors. theta energy: -17.287
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -217.940027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.940027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.093992 (E_RNA)
where:
Base-Base interactions energy: -151.402
where: short stacking energy: -61.398
Base-Backbone interact. energy: -0.621
local terms energy: -66.071068
where:
bonds (distance) C4'-P energy: -12.540
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -17.986
Dist. restrs. and SS energy: 0.154 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -208.463479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.463479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.563851 (E_RNA)
where:
Base-Base interactions energy: -148.174
where: short stacking energy: -61.534
Base-Backbone interact. energy: -0.042
local terms energy: -60.347714
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -5.214
tors. eta vs tors. theta energy: -16.226
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: 10
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -207.592503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.592503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.644585 (E_RNA)
where:
Base-Base interactions energy: -148.003
where: short stacking energy: -67.531
Base-Backbone interact. energy: -0.041
local terms energy: -59.600406
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -9.248
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -14.210
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: 7
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -214.754891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.754891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.761482 (E_RNA)
where:
Base-Base interactions energy: -155.326
where: short stacking energy: -67.485
Base-Backbone interact. energy: -0.001
local terms energy: -59.434943
where:
bonds (distance) C4'-P energy: -10.392
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -11.787
flat angles P-C4'-P energy: -5.269
tors. eta vs tors. theta energy: -18.604
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -203.203959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.203959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.413172 (E_RNA)
where:
Base-Base interactions energy: -147.350
where: short stacking energy: -57.996
Base-Backbone interact. energy: -0.072
local terms energy: -55.990341
where:
bonds (distance) C4'-P energy: -12.478
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -8.694
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -12.800
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: 7, replica: 6
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -201.393364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.393364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.406183 (E_RNA)
where:
Base-Base interactions energy: -145.348
where: short stacking energy: -58.241
Base-Backbone interact. energy: -0.222
local terms energy: -55.836098
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -12.290
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: 9
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -198.238887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.238887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.384371 (E_RNA)
where:
Base-Base interactions energy: -142.519
where: short stacking energy: -54.776
Base-Backbone interact. energy: -0.002
local terms energy: -55.862511
where:
bonds (distance) C4'-P energy: -9.127
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -7.284
tors. eta vs tors. theta energy: -14.560
Dist. restrs. and SS energy: 0.145 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -175.458566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.458566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.429793 (E_RNA)
where:
Base-Base interactions energy: -128.828
where: short stacking energy: -53.177
Base-Backbone interact. energy: -0.012
local terms energy: -53.589229
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -10.598
flat angles P-C4'-P energy: -5.977
tors. eta vs tors. theta energy: -13.528
Dist. restrs. and SS energy: 6.971 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -194.704575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.704575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.711799 (E_RNA)
where:
Base-Base interactions energy: -129.059
where: short stacking energy: -47.778
Base-Backbone interact. energy: -0.353
local terms energy: -65.299464
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -9.905
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: 1, replica: 8
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -217.227953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.227953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.227953 (E_RNA)
where:
Base-Base interactions energy: -147.169
where: short stacking energy: -57.925
Base-Backbone interact. energy: -0.186
local terms energy: -69.873115
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -12.950
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -16.521
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: 2, replica: 2
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -231.833160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.833160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.867409 (E_RNA)
where:
Base-Base interactions energy: -169.131
where: short stacking energy: -69.586
Base-Backbone interact. energy: -0.029
local terms energy: -62.706719
where:
bonds (distance) C4'-P energy: -9.246
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -7.161
tors. eta vs tors. theta energy: -18.228
Dist. restrs. and SS energy: 0.034 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -216.252971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.252971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.269728 (E_RNA)
where:
Base-Base interactions energy: -148.144
where: short stacking energy: -62.929
Base-Backbone interact. energy: -0.239
local terms energy: -67.886248
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -16.707
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: 466
Temperature: 1.050000
Total energy: -211.374849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.374849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.589055 (E_RNA)
where:
Base-Base interactions energy: -156.762
where: short stacking energy: -58.709
Base-Backbone interact. energy: -0.642
local terms energy: -54.185060
where:
bonds (distance) C4'-P energy: -13.188
bonds (distance) P-C4' energy: -13.177
flat angles C4'-P-C4' energy: -8.026
flat angles P-C4'-P energy: -4.982
tors. eta vs tors. theta energy: -14.812
Dist. restrs. and SS energy: 0.214 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -213.437494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.437494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.462788 (E_RNA)
where:
Base-Base interactions energy: -145.284
where: short stacking energy: -60.360
Base-Backbone interact. energy: -0.001
local terms energy: -68.177249
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -10.865
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: -17.998
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -214.761015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.761015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.807948 (E_RNA)
where:
Base-Base interactions energy: -152.432
where: short stacking energy: -59.747
Base-Backbone interact. energy: -0.046
local terms energy: -62.330350
where:
bonds (distance) C4'-P energy: -10.421
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -10.028
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -18.396
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -204.005156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.005156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.025551 (E_RNA)
where:
Base-Base interactions energy: -144.732
where: short stacking energy: -54.921
Base-Backbone interact. energy: -0.047
local terms energy: -59.247141
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -7.853
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -12.730
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -206.923752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.923752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.015319 (E_RNA)
where:
Base-Base interactions energy: -145.869
where: short stacking energy: -60.450
Base-Backbone interact. energy: -0.004
local terms energy: -61.143174
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -4.612
tors. eta vs tors. theta energy: -15.628
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: 3
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -199.090808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.090808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.134751 (E_RNA)
where:
Base-Base interactions energy: -143.334
where: short stacking energy: -53.598
Base-Backbone interact. energy: -0.058
local terms energy: -55.742461
where:
bonds (distance) C4'-P energy: -10.149
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -10.375
flat angles P-C4'-P energy: -3.989
tors. eta vs tors. theta energy: -16.562
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: 5
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -166.153257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.153257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.179801 (E_RNA)
where:
Base-Base interactions energy: -118.722
where: short stacking energy: -50.367
Base-Backbone interact. energy: 0.676
local terms energy: -56.133153
where:
bonds (distance) C4'-P energy: -7.497
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -8.532
tors. eta vs tors. theta energy: -11.206
Dist. restrs. and SS energy: 8.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -222.691679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.691679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.713191 (E_RNA)
where:
Base-Base interactions energy: -160.688
where: short stacking energy: -63.030
Base-Backbone interact. energy: -0.001
local terms energy: -62.023680
where:
bonds (distance) C4'-P energy: -10.655
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -15.514
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: 2
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -220.226052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.226052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.310585 (E_RNA)
where:
Base-Base interactions energy: -151.150
where: short stacking energy: -60.622
Base-Backbone interact. energy: -0.156
local terms energy: -69.004661
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -12.201
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -18.378
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -213.477022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.477022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.567129 (E_RNA)
where:
Base-Base interactions energy: -148.043
where: short stacking energy: -60.248
Base-Backbone interact. energy: -0.005
local terms energy: -65.519327
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -12.929
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -15.615
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -214.872585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.872585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.878677 (E_RNA)
where:
Base-Base interactions energy: -149.467
where: short stacking energy: -62.469
Base-Backbone interact. energy: -0.001
local terms energy: -65.410461
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -16.573
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: 4
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -211.870289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.870289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.942767 (E_RNA)
where:
Base-Base interactions energy: -144.150
where: short stacking energy: -60.079
Base-Backbone interact. energy: -0.001
local terms energy: -67.792405
where:
bonds (distance) C4'-P energy: -14.592
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -13.110
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -16.257
Dist. restrs. and SS energy: 0.072 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -206.789082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.789082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.824025 (E_RNA)
where:
Base-Base interactions energy: -142.454
where: short stacking energy: -54.949
Base-Backbone interact. energy: 1.474
local terms energy: -65.843751
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -11.950
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -8.721
tors. eta vs tors. theta energy: -16.323
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: 6
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -198.912459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.912459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.069003 (E_RNA)
where:
Base-Base interactions energy: -135.879
where: short stacking energy: -51.496
Base-Backbone interact. energy: -0.006
local terms energy: -63.184344
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -13.271
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -14.622
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: 3
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -202.277395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.277395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.335035 (E_RNA)
where:
Base-Base interactions energy: -141.543
where: short stacking energy: -61.612
Base-Backbone interact. energy: -0.080
local terms energy: -60.712480
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -10.984
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -8.815
tors. eta vs tors. theta energy: -16.938
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: 467
Temperature: 1.300000
Total energy: -201.589970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.589970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.640088 (E_RNA)
where:
Base-Base interactions energy: -138.787
where: short stacking energy: -55.862
Base-Backbone interact. energy: -0.001
local terms energy: -62.852257
where:
bonds (distance) C4'-P energy: -10.919
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -15.175
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -179.433259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.433259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.813324 (E_RNA)
where:
Base-Base interactions energy: -135.010
where: short stacking energy: -54.284
Base-Backbone interact. energy: -0.361
local terms energy: -52.442456
where:
bonds (distance) C4'-P energy: -6.567
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -10.397
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -10.846
Dist. restrs. and SS energy: 8.380 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -216.050756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.050756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.050756 (E_RNA)
where:
Base-Base interactions energy: -151.042
where: short stacking energy: -61.659
Base-Backbone interact. energy: -0.001
local terms energy: -65.007741
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -14.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -214.014066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.014066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.149114 (E_RNA)
where:
Base-Base interactions energy: -149.783
where: short stacking energy: -67.551
Base-Backbone interact. energy: -0.001
local terms energy: -64.365173
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -14.161
flat angles P-C4'-P energy: -8.375
tors. eta vs tors. theta energy: -16.030
Dist. restrs. and SS energy: 0.135 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -215.760601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.760601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.761683 (E_RNA)
where:
Base-Base interactions energy: -157.435
where: short stacking energy: -66.841
Base-Backbone interact. energy: -0.004
local terms energy: -58.323249
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -8.451
flat angles C4'-P-C4' energy: -13.592
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -15.779
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: 10
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -210.551902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.551902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.551902 (E_RNA)
where:
Base-Base interactions energy: -148.303
where: short stacking energy: -61.808
Base-Backbone interact. energy: 1.181
local terms energy: -63.429464
where:
bonds (distance) C4'-P energy: -14.018
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -13.216
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -14.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -208.750605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.750605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.775942 (E_RNA)
where:
Base-Base interactions energy: -142.462
where: short stacking energy: -54.091
Base-Backbone interact. energy: -0.944
local terms energy: -65.370553
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -8.218
tors. eta vs tors. theta energy: -15.565
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: 4
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -208.269057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.269057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.506185 (E_RNA)
where:
Base-Base interactions energy: -153.670
where: short stacking energy: -59.781
Base-Backbone interact. energy: -0.004
local terms energy: -54.831820
where:
bonds (distance) C4'-P energy: -10.595
bonds (distance) P-C4' energy: -12.443
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -5.734
tors. eta vs tors. theta energy: -12.647
Dist. restrs. and SS energy: 0.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -211.091351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.091351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.206752 (E_RNA)
where:
Base-Base interactions energy: -154.358
where: short stacking energy: -57.193
Base-Backbone interact. energy: -0.232
local terms energy: -56.617358
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -10.527
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -6.720
tors. eta vs tors. theta energy: -13.111
Dist. restrs. and SS energy: 0.115 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -202.136358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.136358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.144212 (E_RNA)
where:
Base-Base interactions energy: -144.640
where: short stacking energy: -59.878
Base-Backbone interact. energy: -0.001
local terms energy: -57.503845
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -13.162
flat angles C4'-P-C4' energy: -11.708
flat angles P-C4'-P energy: -9.085
tors. eta vs tors. theta energy: -12.721
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: 9
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -198.725912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.725912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.731883 (E_RNA)
where:
Base-Base interactions energy: -142.319
where: short stacking energy: -56.988
Base-Backbone interact. energy: -0.070
local terms energy: -56.342152
where:
bonds (distance) C4'-P energy: -5.812
bonds (distance) P-C4' energy: -13.619
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -6.614
tors. eta vs tors. theta energy: -15.169
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: 468
Temperature: 1.350000
Total energy: -176.163100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.163100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.644552 (E_RNA)
where:
Base-Base interactions energy: -127.965
where: short stacking energy: -55.352
Base-Backbone interact. energy: -0.704
local terms energy: -53.975879
where:
bonds (distance) C4'-P energy: -7.354
bonds (distance) P-C4' energy: -13.089
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -3.874
tors. eta vs tors. theta energy: -15.803
Dist. restrs. and SS energy: 6.481 (S_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: 469
Temperature: 0.900000
Total energy: -226.005103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.005103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.005103 (E_RNA)
where:
Base-Base interactions energy: -157.306
where: short stacking energy: -65.383
Base-Backbone interact. energy: -0.041
local terms energy: -68.657550
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -17.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -221.796284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.796284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.836616 (E_RNA)
where:
Base-Base interactions energy: -158.017
where: short stacking energy: -67.278
Base-Backbone interact. energy: -0.001
local terms energy: -63.819001
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -16.361
Dist. restrs. and SS energy: 0.040 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -215.369222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.369222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.401405 (E_RNA)
where:
Base-Base interactions energy: -145.117
where: short stacking energy: -62.490
Base-Backbone interact. energy: 0.132
local terms energy: -70.416786
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -17.292
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -214.157382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.157382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.180611 (E_RNA)
where:
Base-Base interactions energy: -154.088
where: short stacking energy: -59.726
Base-Backbone interact. energy: 0.032
local terms energy: -60.124793
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -9.914
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -13.323
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: 10
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -205.190542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.190542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.274576 (E_RNA)
where:
Base-Base interactions energy: -142.140
where: short stacking energy: -52.060
Base-Backbone interact. energy: -0.002
local terms energy: -63.132392
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -10.340
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -16.608
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: 469
Temperature: 1.150000
Total energy: -209.889958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.889958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.126631 (E_RNA)
where:
Base-Base interactions energy: -147.407
where: short stacking energy: -62.924
Base-Backbone interact. energy: -0.001
local terms energy: -62.718614
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -6.729
tors. eta vs tors. theta energy: -15.294
Dist. restrs. and SS energy: 0.237 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -201.518545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.518545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.735196 (E_RNA)
where:
Base-Base interactions energy: -137.888
where: short stacking energy: -58.049
Base-Backbone interact. energy: -0.001
local terms energy: -63.845421
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -17.781
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: 8, replica: 6
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -204.603431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.603431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.721450 (E_RNA)
where:
Base-Base interactions energy: -136.934
where: short stacking energy: -54.165
Base-Backbone interact. energy: -0.526
local terms energy: -67.261188
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -11.291
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -11.243
tors. eta vs tors. theta energy: -17.226
Dist. restrs. and SS energy: 0.118 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -206.358778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.358778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.459739 (E_RNA)
where:
Base-Base interactions energy: -144.852
where: short stacking energy: -61.648
Base-Backbone interact. energy: 0.492
local terms energy: -62.099699
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -10.068
flat angles C4'-P-C4' energy: -12.642
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -15.735
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: 5
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -177.231687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.231687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.922845 (E_RNA)
where:
Base-Base interactions energy: -133.753
where: short stacking energy: -55.202
Base-Backbone interact. energy: -0.283
local terms energy: -51.887228
where:
bonds (distance) C4'-P energy: -6.514
bonds (distance) P-C4' energy: -10.506
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -5.539
tors. eta vs tors. theta energy: -15.932
Dist. restrs. and SS energy: 8.691 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -234.015099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.015099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.058764 (E_RNA)
where:
Base-Base interactions energy: -169.222
where: short stacking energy: -66.437
Base-Backbone interact. energy: -0.004
local terms energy: -64.833245
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -6.349
tors. eta vs tors. theta energy: -17.809
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: 470
Temperature: 0.950000
Total energy: -218.575919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.575919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.623574 (E_RNA)
where:
Base-Base interactions energy: -150.873
where: short stacking energy: -65.218
Base-Backbone interact. energy: -0.043
local terms energy: -67.706856
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -17.176
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: 7
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -214.823677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.823677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.831731 (E_RNA)
where:
Base-Base interactions energy: -147.799
where: short stacking energy: -60.643
Base-Backbone interact. energy: -0.002
local terms energy: -67.031360
where:
bonds (distance) C4'-P energy: -12.731
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -8.623
tors. eta vs tors. theta energy: -16.828
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -217.202029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.202029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.244696 (E_RNA)
where:
Base-Base interactions energy: -164.856
where: short stacking energy: -67.137
Base-Backbone interact. energy: -0.015
local terms energy: -52.373517
where:
bonds (distance) C4'-P energy: -3.974
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -4.853
tors. eta vs tors. theta energy: -16.426
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: 470
Temperature: 1.100000
Total energy: -203.236548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.236548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.275201 (E_RNA)
where:
Base-Base interactions energy: -138.949
where: short stacking energy: -56.208
Base-Backbone interact. energy: -0.330
local terms energy: -63.995919
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -16.588
Dist. restrs. and SS energy: 0.039 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -204.695419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.695419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.838412 (E_RNA)
where:
Base-Base interactions energy: -138.528
where: short stacking energy: -61.642
Base-Backbone interact. energy: -0.009
local terms energy: -66.300780
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -11.256
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -15.908
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: 6
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -206.721248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.721248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.745765 (E_RNA)
where:
Base-Base interactions energy: -154.072
where: short stacking energy: -55.936
Base-Backbone interact. energy: -0.065
local terms energy: -52.609140
where:
bonds (distance) C4'-P energy: -10.897
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -7.576
flat angles P-C4'-P energy: -6.830
tors. eta vs tors. theta energy: -14.842
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -195.777300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.777300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.819041 (E_RNA)
where:
Base-Base interactions energy: -133.630
where: short stacking energy: -51.901
Base-Backbone interact. energy: -0.051
local terms energy: -62.137567
where:
bonds (distance) C4'-P energy: -9.632
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -14.613
Dist. restrs. and SS energy: 0.042 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -201.479194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.479194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.479194 (E_RNA)
where:
Base-Base interactions energy: -146.633
where: short stacking energy: -58.696
Base-Backbone interact. energy: -0.011
local terms energy: -54.836040
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -9.250
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -13.798
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -173.640884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.640884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.838904 (E_RNA)
where:
Base-Base interactions energy: -128.426
where: short stacking energy: -59.581
Base-Backbone interact. energy: -0.473
local terms energy: -50.940501
where:
bonds (distance) C4'-P energy: -6.936
bonds (distance) P-C4' energy: -9.256
flat angles C4'-P-C4' energy: -11.966
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: -14.019
Dist. restrs. and SS energy: 6.198 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -228.297816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.297816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.317458 (E_RNA)
where:
Base-Base interactions energy: -170.226
where: short stacking energy: -72.891
Base-Backbone interact. energy: -0.314
local terms energy: -57.778037
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -12.521
flat angles C4'-P-C4' energy: -9.510
flat angles P-C4'-P energy: -3.940
tors. eta vs tors. theta energy: -18.587
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: 471
Temperature: 0.950000
Total energy: -224.163541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.163541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.190915 (E_RNA)
where:
Base-Base interactions energy: -166.185
where: short stacking energy: -65.875
Base-Backbone interact. energy: -0.008
local terms energy: -57.997823
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -9.011
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -6.188
tors. eta vs tors. theta energy: -16.535
Dist. restrs. and SS energy: 0.027 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -220.855754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.855754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.085631 (E_RNA)
where:
Base-Base interactions energy: -159.014
where: short stacking energy: -63.094
Base-Backbone interact. energy: -0.004
local terms energy: -62.068283
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -15.617
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: 4, replica: 4
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -213.315729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.315729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.383079 (E_RNA)
where:
Base-Base interactions energy: -154.762
where: short stacking energy: -57.743
Base-Backbone interact. energy: -0.131
local terms energy: -58.489973
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -11.946
flat angles C4'-P-C4' energy: -12.819
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: -13.441
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -208.277794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.277794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.324530 (E_RNA)
where:
Base-Base interactions energy: -141.918
where: short stacking energy: -57.930
Base-Backbone interact. energy: -0.012
local terms energy: -66.394004
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -11.970
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -16.988
Dist. restrs. and SS energy: 0.047 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -211.677330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.677330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.745641 (E_RNA)
where:
Base-Base interactions energy: -150.065
where: short stacking energy: -60.283
Base-Backbone interact. energy: -0.000
local terms energy: -61.679941
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -8.088
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -15.844
Dist. restrs. and SS energy: 0.068 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -203.674350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.674350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.789788 (E_RNA)
where:
Base-Base interactions energy: -141.187
where: short stacking energy: -59.094
Base-Backbone interact. energy: -0.371
local terms energy: -62.232628
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -9.883
flat angles P-C4'-P energy: -6.377
tors. eta vs tors. theta energy: -19.484
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: 9
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -209.233390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.233390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.345225 (E_RNA)
where:
Base-Base interactions energy: -144.039
where: short stacking energy: -58.002
Base-Backbone interact. energy: -0.127
local terms energy: -65.179525
where:
bonds (distance) C4'-P energy: -9.192
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -9.219
tors. eta vs tors. theta energy: -18.421
Dist. restrs. and SS energy: 0.112 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -193.627255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.627255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.632488 (E_RNA)
where:
Base-Base interactions energy: -136.312
where: short stacking energy: -53.436
Base-Backbone interact. energy: -0.013
local terms energy: -57.308108
where:
bonds (distance) C4'-P energy: -12.851
bonds (distance) P-C4' energy: -11.207
flat angles C4'-P-C4' energy: -10.999
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -10.874
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: 471
Temperature: 1.350000
Total energy: -168.273271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.273271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.567083 (E_RNA)
where:
Base-Base interactions energy: -121.105
where: short stacking energy: -46.911
Base-Backbone interact. energy: -0.688
local terms energy: -53.774210
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -8.572
flat angles C4'-P-C4' energy: -8.219
flat angles P-C4'-P energy: -9.898
tors. eta vs tors. theta energy: -12.130
Dist. restrs. and SS energy: 7.294 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -227.898015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.898015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.959053 (E_RNA)
where:
Base-Base interactions energy: -170.551
where: short stacking energy: -71.650
Base-Backbone interact. energy: -0.007
local terms energy: -57.400733
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -11.894
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -1.703
tors. eta vs tors. theta energy: -19.093
Dist. restrs. and SS energy: 0.061 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -224.060183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.060183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.064264 (E_RNA)
where:
Base-Base interactions energy: -164.694
where: short stacking energy: -66.591
Base-Backbone interact. energy: -0.005
local terms energy: -59.365720
where:
bonds (distance) C4'-P energy: -12.673
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -4.888
tors. eta vs tors. theta energy: -18.954
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: 472
Temperature: 1.000000
Total energy: -226.742072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.742072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.745058 (E_RNA)
where:
Base-Base interactions energy: -166.231
where: short stacking energy: -64.557
Base-Backbone interact. energy: -0.041
local terms energy: -60.472830
where:
bonds (distance) C4'-P energy: -7.973
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -5.476
tors. eta vs tors. theta energy: -16.878
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -214.828675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.828675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.865153 (E_RNA)
where:
Base-Base interactions energy: -147.337
where: short stacking energy: -65.118
Base-Backbone interact. energy: -0.043
local terms energy: -67.484680
where:
bonds (distance) C4'-P energy: -14.776
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -13.383
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -16.448
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -215.977909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.977909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.153908 (E_RNA)
where:
Base-Base interactions energy: -155.096
where: short stacking energy: -63.204
Base-Backbone interact. energy: -0.001
local terms energy: -61.056905
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: -15.513
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: 2
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -204.035547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.035547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.080555 (E_RNA)
where:
Base-Base interactions energy: -150.942
where: short stacking energy: -55.505
Base-Backbone interact. energy: -0.014
local terms energy: -53.124529
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -9.741
flat angles C4'-P-C4' energy: -10.225
flat angles P-C4'-P energy: -6.045
tors. eta vs tors. theta energy: -13.873
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: 472
Temperature: 1.200000
Total energy: -198.004312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.004312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.009350 (E_RNA)
where:
Base-Base interactions energy: -138.264
where: short stacking energy: -54.628
Base-Backbone interact. energy: -0.001
local terms energy: -59.743897
where:
bonds (distance) C4'-P energy: -10.369
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -12.754
Dist. restrs. and SS energy: 0.005 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -201.614421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.614421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.861757 (E_RNA)
where:
Base-Base interactions energy: -141.796
where: short stacking energy: -60.463
Base-Backbone interact. energy: -0.003
local terms energy: -60.062303
where:
bonds (distance) C4'-P energy: -11.502
bonds (distance) P-C4' energy: -10.564
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -14.202
Dist. restrs. and SS energy: 0.247 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -175.728714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.728714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.522412 (E_RNA)
where:
Base-Base interactions energy: -122.462
where: short stacking energy: -59.097
Base-Backbone interact. energy: 0.229
local terms energy: -62.288866
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -14.505
Dist. restrs. and SS energy: 8.794 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -191.716957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.716957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.879563 (E_RNA)
where:
Base-Base interactions energy: -138.533
where: short stacking energy: -53.209
Base-Backbone interact. energy: -0.039
local terms energy: -53.307933
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -11.111
flat angles C4'-P-C4' energy: -9.452
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -12.856
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: 7
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -219.403759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.403759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.430414 (E_RNA)
where:
Base-Base interactions energy: -152.142
where: short stacking energy: -66.192
Base-Backbone interact. energy: -0.042
local terms energy: -67.246174
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -13.578
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -18.410
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: 473
Temperature: 0.950000
Total energy: -234.426427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.426427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.462753 (E_RNA)
where:
Base-Base interactions energy: -171.412
where: short stacking energy: -69.212
Base-Backbone interact. energy: -0.020
local terms energy: -63.031424
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -11.306
flat angles P-C4'-P energy: -5.854
tors. eta vs tors. theta energy: -16.283
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -205.834645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.834645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.834645 (E_RNA)
where:
Base-Base interactions energy: -141.818
where: short stacking energy: -55.786
Base-Backbone interact. energy: -0.005
local terms energy: -64.011615
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -14.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -215.799438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.799438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.799438 (E_RNA)
where:
Base-Base interactions energy: -151.962
where: short stacking energy: -63.085
Base-Backbone interact. energy: -0.043
local terms energy: -63.793581
where:
bonds (distance) C4'-P energy: -10.781
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -14.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -217.998205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.998205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.998205 (E_RNA)
where:
Base-Base interactions energy: -161.641
where: short stacking energy: -62.560
Base-Backbone interact. energy: -0.018
local terms energy: -56.338962
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -9.019
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -6.543
tors. eta vs tors. theta energy: -17.722
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -213.111320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.111320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.134275 (E_RNA)
where:
Base-Base interactions energy: -150.971
where: short stacking energy: -57.119
Base-Backbone interact. energy: -0.017
local terms energy: -62.146348
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -9.526
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -16.998
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -203.527266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.527266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.617816 (E_RNA)
where:
Base-Base interactions energy: -141.376
where: short stacking energy: -54.389
Base-Backbone interact. energy: -0.082
local terms energy: -62.159688
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -9.819
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -198.643477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.643477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.721029 (E_RNA)
where:
Base-Base interactions energy: -139.589
where: short stacking energy: -52.798
Base-Backbone interact. energy: -0.097
local terms energy: -59.034854
where:
bonds (distance) C4'-P energy: -12.077
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -12.557
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: -12.953
Dist. restrs. and SS energy: 0.078 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -174.899113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.899113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.273731 (E_RNA)
where:
Base-Base interactions energy: -131.769
where: short stacking energy: -56.222
Base-Backbone interact. energy: -0.002
local terms energy: -51.502030
where:
bonds (distance) C4'-P energy: -8.215
bonds (distance) P-C4' energy: -12.392
flat angles C4'-P-C4' energy: -10.444
flat angles P-C4'-P energy: -5.319
tors. eta vs tors. theta energy: -15.133
Dist. restrs. and SS energy: 8.375 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -197.604418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.604418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.735713 (E_RNA)
where:
Base-Base interactions energy: -148.977
where: short stacking energy: -63.439
Base-Backbone interact. energy: -0.001
local terms energy: -48.758007
where:
bonds (distance) C4'-P energy: -6.538
bonds (distance) P-C4' energy: -9.674
flat angles C4'-P-C4' energy: -11.947
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -13.554
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: 1, replica: 8
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -235.027152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.027152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.056131 (E_RNA)
where:
Base-Base interactions energy: -169.252
where: short stacking energy: -68.946
Base-Backbone interact. energy: -0.008
local terms energy: -65.796176
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -12.255
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -16.839
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -232.017440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.017440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.017440 (E_RNA)
where:
Base-Base interactions energy: -171.604
where: short stacking energy: -71.905
Base-Backbone interact. energy: -0.055
local terms energy: -60.358312
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -12.059
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -4.522
tors. eta vs tors. theta energy: -18.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -209.409432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.409432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.497285 (E_RNA)
where:
Base-Base interactions energy: -143.677
where: short stacking energy: -56.788
Base-Backbone interact. energy: -0.002
local terms energy: -65.818215
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -12.524
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -17.615
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: 1
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -212.068494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.068494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.117239 (E_RNA)
where:
Base-Base interactions energy: -147.202
where: short stacking energy: -65.004
Base-Backbone interact. energy: -0.041
local terms energy: -64.874381
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -13.936
flat angles P-C4'-P energy: -9.471
tors. eta vs tors. theta energy: -16.147
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: 2
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -205.476345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.476345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.479588 (E_RNA)
where:
Base-Base interactions energy: -151.602
where: short stacking energy: -56.861
Base-Backbone interact. energy: -0.004
local terms energy: -53.873474
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -10.952
flat angles P-C4'-P energy: -1.325
tors. eta vs tors. theta energy: -16.242
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -207.971100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.971100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.971100 (E_RNA)
where:
Base-Base interactions energy: -143.864
where: short stacking energy: -57.621
Base-Backbone interact. energy: -0.079
local terms energy: -64.027286
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -12.322
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -8.391
tors. eta vs tors. theta energy: -14.486
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -195.855823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.855823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.303684 (E_RNA)
where:
Base-Base interactions energy: -136.749
where: short stacking energy: -59.522
Base-Backbone interact. energy: -0.111
local terms energy: -59.443713
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -10.339
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -5.788
tors. eta vs tors. theta energy: -15.343
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: 474
Temperature: 1.250000
Total energy: -196.058619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.058619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.157575 (E_RNA)
where:
Base-Base interactions energy: -137.622
where: short stacking energy: -53.236
Base-Backbone interact. energy: -0.001
local terms energy: -58.533896
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -12.605
flat angles P-C4'-P energy: -8.270
tors. eta vs tors. theta energy: -11.828
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: 3
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -198.022641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.022641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.081188 (E_RNA)
where:
Base-Base interactions energy: -136.429
where: short stacking energy: -59.509
Base-Backbone interact. energy: -0.001
local terms energy: -61.651217
where:
bonds (distance) C4'-P energy: -10.461
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -5.306
tors. eta vs tors. theta energy: -15.670
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: 5
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -176.938180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.938180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.856833 (E_RNA)
where:
Base-Base interactions energy: -126.604
where: short stacking energy: -51.740
Base-Backbone interact. energy: -0.007
local terms energy: -58.245496
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -13.268
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -5.388
tors. eta vs tors. theta energy: -14.147
Dist. restrs. and SS energy: 7.919 (S_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: 475
Temperature: 0.900000
Total energy: -236.124840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.124840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.163386 (E_RNA)
where:
Base-Base interactions energy: -166.801
where: short stacking energy: -69.370
Base-Backbone interact. energy: -0.159
local terms energy: -69.203029
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -17.993
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: 7
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -236.035257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.035257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.065842 (E_RNA)
where:
Base-Base interactions energy: -176.106
where: short stacking energy: -69.748
Base-Backbone interact. energy: -0.002
local terms energy: -59.958385
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -12.094
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -2.484
tors. eta vs tors. theta energy: -16.807
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -226.045073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.045073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.045073 (E_RNA)
where:
Base-Base interactions energy: -163.481
where: short stacking energy: -60.465
Base-Backbone interact. energy: -0.015
local terms energy: -62.549461
where:
bonds (distance) C4'-P energy: -10.723
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -7.403
tors. eta vs tors. theta energy: -16.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -207.388273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.388273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.845384 (E_RNA)
where:
Base-Base interactions energy: -147.936
where: short stacking energy: -58.396
Base-Backbone interact. energy: -0.745
local terms energy: -59.164992
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -9.961
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -7.637
tors. eta vs tors. theta energy: -13.996
Dist. restrs. and SS energy: 0.457 (S_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: 475
Temperature: 1.100000
Total energy: -209.072736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.072736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.104392 (E_RNA)
where:
Base-Base interactions energy: -147.747
where: short stacking energy: -62.067
Base-Backbone interact. energy: -0.675
local terms energy: -60.682083
where:
bonds (distance) C4'-P energy: -10.481
bonds (distance) P-C4' energy: -10.834
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -6.819
tors. eta vs tors. theta energy: -18.115
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: 4
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -207.962372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.962372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.058849 (E_RNA)
where:
Base-Base interactions energy: -145.881
where: short stacking energy: -57.553
Base-Backbone interact. energy: -0.004
local terms energy: -62.174236
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -10.750
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -15.924
Dist. restrs. and SS energy: 0.096 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -198.689932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.689932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.819512 (E_RNA)
where:
Base-Base interactions energy: -141.000
where: short stacking energy: -53.794
Base-Backbone interact. energy: -0.678
local terms energy: -57.141475
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -5.538
tors. eta vs tors. theta energy: -14.338
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: 10
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -196.411160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.411160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.775396 (E_RNA)
where:
Base-Base interactions energy: -137.294
where: short stacking energy: -56.804
Base-Backbone interact. energy: -0.045
local terms energy: -59.436586
where:
bonds (distance) C4'-P energy: -8.509
bonds (distance) P-C4' energy: -16.461
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -6.147
tors. eta vs tors. theta energy: -15.495
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: 9, replica: 3
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -198.532641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.532641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.759008 (E_RNA)
where:
Base-Base interactions energy: -146.714
where: short stacking energy: -63.434
Base-Backbone interact. energy: -0.263
local terms energy: -51.781728
where:
bonds (distance) C4'-P energy: -9.635
bonds (distance) P-C4' energy: -8.586
flat angles C4'-P-C4' energy: -8.958
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -14.386
Dist. restrs. and SS energy: 0.226 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -190.641520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.641520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.652936 (E_RNA)
where:
Base-Base interactions energy: -136.040
where: short stacking energy: -57.464
Base-Backbone interact. energy: -0.009
local terms energy: -61.603264
where:
bonds (distance) C4'-P energy: -9.635
bonds (distance) P-C4' energy: -14.048
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -15.216
Dist. restrs. and SS energy: 7.011 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -241.691543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.691543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.734533 (E_RNA)
where:
Base-Base interactions energy: -176.032
where: short stacking energy: -71.149
Base-Backbone interact. energy: -0.592
local terms energy: -65.110105
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -13.828
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -5.270
tors. eta vs tors. theta energy: -18.931
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: 476
Temperature: 0.950000
Total energy: -216.863458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.863458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.152508 (E_RNA)
where:
Base-Base interactions energy: -159.281
where: short stacking energy: -64.238
Base-Backbone interact. energy: -0.014
local terms energy: -57.857204
where:
bonds (distance) C4'-P energy: -9.001
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -5.368
tors. eta vs tors. theta energy: -17.031
Dist. restrs. and SS energy: 0.289 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -217.855359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.855359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.859856 (E_RNA)
where:
Base-Base interactions energy: -168.609
where: short stacking energy: -65.674
Base-Backbone interact. energy: -0.026
local terms energy: -49.224866
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -5.157
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -0.374
tors. eta vs tors. theta energy: -17.495
Dist. restrs. and SS energy: 0.004 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -219.013675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.013675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.048966 (E_RNA)
where:
Base-Base interactions energy: -161.895
where: short stacking energy: -62.384
Base-Backbone interact. energy: -0.401
local terms energy: -56.752971
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -11.395
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -6.447
tors. eta vs tors. theta energy: -11.429
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: 4
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -213.623212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.623212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.713320 (E_RNA)
where:
Base-Base interactions energy: -149.326
where: short stacking energy: -54.909
Base-Backbone interact. energy: -0.231
local terms energy: -64.156897
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -10.033
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -15.778
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -196.633694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.633694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.851873 (E_RNA)
where:
Base-Base interactions energy: -132.049
where: short stacking energy: -54.644
Base-Backbone interact. energy: -0.009
local terms energy: -64.794143
where:
bonds (distance) C4'-P energy: -10.116
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -17.021
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: 10
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -207.629595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.629595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.629595 (E_RNA)
where:
Base-Base interactions energy: -148.826
where: short stacking energy: -56.217
Base-Backbone interact. energy: -0.340
local terms energy: -58.463015
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -9.160
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -6.342
tors. eta vs tors. theta energy: -17.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -197.926395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.926395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.032125 (E_RNA)
where:
Base-Base interactions energy: -139.392
where: short stacking energy: -53.130
Base-Backbone interact. energy: -0.006
local terms energy: -58.634169
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -11.860
flat angles C4'-P-C4' energy: -13.127
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -11.784
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -180.394153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.394153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.744838 (E_RNA)
where:
Base-Base interactions energy: -120.576
where: short stacking energy: -50.944
Base-Backbone interact. energy: -1.148
local terms energy: -66.021005
where:
bonds (distance) C4'-P energy: -10.949
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -14.385
Dist. restrs. and SS energy: 7.351 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -189.025423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.025423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.083068 (E_RNA)
where:
Base-Base interactions energy: -138.490
where: short stacking energy: -56.789
Base-Backbone interact. energy: -0.661
local terms energy: -49.931639
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -5.935
flat angles C4'-P-C4' energy: -9.602
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -12.207
Dist. restrs. and SS energy: 0.058 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -231.409131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.409131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.409131 (E_RNA)
where:
Base-Base interactions energy: -168.386
where: short stacking energy: -67.949
Base-Backbone interact. energy: -0.650
local terms energy: -62.373465
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -12.934
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -2.585
tors. eta vs tors. theta energy: -16.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -225.184324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.184324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.184324 (E_RNA)
where:
Base-Base interactions energy: -164.054
where: short stacking energy: -63.501
Base-Backbone interact. energy: -0.037
local terms energy: -61.092774
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -2.908
tors. eta vs tors. theta energy: -16.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -213.077651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.077651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.083128 (E_RNA)
where:
Base-Base interactions energy: -152.877
where: short stacking energy: -56.070
Base-Backbone interact. energy: -0.003
local terms energy: -60.202778
where:
bonds (distance) C4'-P energy: -11.557
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -5.448
tors. eta vs tors. theta energy: -14.973
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: 4
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -209.016951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.016951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.062194 (E_RNA)
where:
Base-Base interactions energy: -141.884
where: short stacking energy: -55.244
Base-Backbone interact. energy: -0.020
local terms energy: -67.158357
where:
bonds (distance) C4'-P energy: -11.726
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -16.962
Dist. restrs. and SS energy: 0.045 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -223.332319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.332319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.434839 (E_RNA)
where:
Base-Base interactions energy: -167.697
where: short stacking energy: -66.021
Base-Backbone interact. energy: -0.005
local terms energy: -55.732415
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -9.729
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -3.652
tors. eta vs tors. theta energy: -16.005
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: 10
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -209.282877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.282877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.532216 (E_RNA)
where:
Base-Base interactions energy: -144.177
where: short stacking energy: -62.077
Base-Backbone interact. energy: -0.004
local terms energy: -65.351064
where:
bonds (distance) C4'-P energy: -9.440
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -16.789
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: 1
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -206.714213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.714213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.722943 (E_RNA)
where:
Base-Base interactions energy: -153.634
where: short stacking energy: -65.363
Base-Backbone interact. energy: -0.123
local terms energy: -52.966040
where:
bonds (distance) C4'-P energy: -9.764
bonds (distance) P-C4' energy: -7.485
flat angles C4'-P-C4' energy: -9.291
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -16.632
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: 477
Temperature: 1.250000
Total energy: -205.400170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.400170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.433653 (E_RNA)
where:
Base-Base interactions energy: -148.535
where: short stacking energy: -54.141
Base-Backbone interact. energy: 0.708
local terms energy: -57.606894
where:
bonds (distance) C4'-P energy: -11.257
bonds (distance) P-C4' energy: -11.855
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -4.067
tors. eta vs tors. theta energy: -16.845
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: 477
Temperature: 1.300000
Total energy: -188.517693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.517693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.622405 (E_RNA)
where:
Base-Base interactions energy: -144.766
where: short stacking energy: -65.742
Base-Backbone interact. energy: -0.006
local terms energy: -50.850323
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -4.443
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -6.210
tors. eta vs tors. theta energy: -15.885
Dist. restrs. and SS energy: 7.105 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -192.779375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.779375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.048078 (E_RNA)
where:
Base-Base interactions energy: -128.511
where: short stacking energy: -54.346
Base-Backbone interact. energy: -0.783
local terms energy: -63.753730
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -4.690
tors. eta vs tors. theta energy: -17.084
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: 1, replica: 6
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -234.218543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.218543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.234461 (E_RNA)
where:
Base-Base interactions energy: -172.537
where: short stacking energy: -70.292
Base-Backbone interact. energy: -0.004
local terms energy: -61.693311
where:
bonds (distance) C4'-P energy: -11.337
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -4.948
tors. eta vs tors. theta energy: -17.491
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: 7
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -223.142220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.142220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.217533 (E_RNA)
where:
Base-Base interactions energy: -161.736
where: short stacking energy: -67.044
Base-Backbone interact. energy: -0.000
local terms energy: -61.481462
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -12.725
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: -12.620
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: 4
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -209.612510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.612510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.697175 (E_RNA)
where:
Base-Base interactions energy: -152.212
where: short stacking energy: -64.674
Base-Backbone interact. energy: -0.007
local terms energy: -57.478140
where:
bonds (distance) C4'-P energy: -7.604
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -12.659
flat angles P-C4'-P energy: -6.176
tors. eta vs tors. theta energy: -17.317
Dist. restrs. and SS energy: 0.085 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -208.002554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.002554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.047275 (E_RNA)
where:
Base-Base interactions energy: -139.687
where: short stacking energy: -54.807
Base-Backbone interact. energy: 0.445
local terms energy: -68.804711
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -13.199
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: 10
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -212.052434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.052434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.381654 (E_RNA)
where:
Base-Base interactions energy: -150.858
where: short stacking energy: -67.558
Base-Backbone interact. energy: -0.652
local terms energy: -60.871847
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -11.284
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -15.501
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: 6, replica: 2
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -207.101317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.101317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.103208 (E_RNA)
where:
Base-Base interactions energy: -142.668
where: short stacking energy: -47.620
Base-Backbone interact. energy: -0.267
local terms energy: -64.168270
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -11.397
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -16.555
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: 1
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -200.555221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.555221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.639269 (E_RNA)
where:
Base-Base interactions energy: -140.381
where: short stacking energy: -57.207
Base-Backbone interact. energy: -0.245
local terms energy: -60.012618
where:
bonds (distance) C4'-P energy: -10.116
bonds (distance) P-C4' energy: -11.302
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -18.124
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: 9
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -199.160805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.160805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.186197 (E_RNA)
where:
Base-Base interactions energy: -135.500
where: short stacking energy: -55.329
Base-Backbone interact. energy: -0.571
local terms energy: -63.114689
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -14.665
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: 3
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -198.388332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.388332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.428616 (E_RNA)
where:
Base-Base interactions energy: -135.856
where: short stacking energy: -53.843
Base-Backbone interact. energy: -0.062
local terms energy: -62.509754
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -11.406
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -12.561
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: 478
Temperature: 1.350000
Total energy: -175.491670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.491670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.806630 (E_RNA)
where:
Base-Base interactions energy: -124.272
where: short stacking energy: -53.571
Base-Backbone interact. energy: -0.477
local terms energy: -58.057113
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -11.596
flat angles P-C4'-P energy: -6.665
tors. eta vs tors. theta energy: -13.973
Dist. restrs. and SS energy: 7.315 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -235.255543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.255543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.267552 (E_RNA)
where:
Base-Base interactions energy: -169.951
where: short stacking energy: -72.506
Base-Backbone interact. energy: -0.003
local terms energy: -65.312708
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -4.427
tors. eta vs tors. theta energy: -17.913
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -224.092860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.092860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.105047 (E_RNA)
where:
Base-Base interactions energy: -153.077
where: short stacking energy: -68.050
Base-Backbone interact. energy: -0.001
local terms energy: -71.026776
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -16.461
flat angles C4'-P-C4' energy: -14.480
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -16.980
Dist. restrs. and SS energy: 0.012 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -229.718796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.718796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.766907 (E_RNA)
where:
Base-Base interactions energy: -169.158
where: short stacking energy: -65.800
Base-Backbone interact. energy: -0.085
local terms energy: -60.524595
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -2.262
tors. eta vs tors. theta energy: -17.841
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: 479
Temperature: 1.050000
Total energy: -211.533497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.533497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.563432 (E_RNA)
where:
Base-Base interactions energy: -152.369
where: short stacking energy: -62.163
Base-Backbone interact. energy: 0.567
local terms energy: -59.761406
where:
bonds (distance) C4'-P energy: -13.304
bonds (distance) P-C4' energy: -9.491
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -14.152
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: 479
Temperature: 1.100000
Total energy: -219.423569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.423569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.526974 (E_RNA)
where:
Base-Base interactions energy: -152.825
where: short stacking energy: -65.969
Base-Backbone interact. energy: -0.003
local terms energy: -66.699447
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -14.912
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: 2
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -203.428928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.428928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.612202 (E_RNA)
where:
Base-Base interactions energy: -144.591
where: short stacking energy: -60.652
Base-Backbone interact. energy: -0.532
local terms energy: -58.488470
where:
bonds (distance) C4'-P energy: -9.462
bonds (distance) P-C4' energy: -10.936
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -6.920
tors. eta vs tors. theta energy: -16.399
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: 1
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -200.797102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.797102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.077679 (E_RNA)
where:
Base-Base interactions energy: -139.760
where: short stacking energy: -60.057
Base-Backbone interact. energy: -0.002
local terms energy: -61.315951
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -12.097
flat angles C4'-P-C4' energy: -10.924
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: -17.399
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: 3
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -202.589860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.589860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.615157 (E_RNA)
where:
Base-Base interactions energy: -143.263
where: short stacking energy: -60.506
Base-Backbone interact. energy: -0.287
local terms energy: -59.065242
where:
bonds (distance) C4'-P energy: -9.425
bonds (distance) P-C4' energy: -11.772
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -16.442
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: 9
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -194.779626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.779626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.886892 (E_RNA)
where:
Base-Base interactions energy: -132.481
where: short stacking energy: -51.438
Base-Backbone interact. energy: -0.004
local terms energy: -62.401849
where:
bonds (distance) C4'-P energy: -10.054
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -13.256
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -15.198
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: 479
Temperature: 1.350000
Total energy: -174.391327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.391327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.835525 (E_RNA)
where:
Base-Base interactions energy: -129.793
where: short stacking energy: -54.573
Base-Backbone interact. energy: -0.039
local terms energy: -53.004244
where:
bonds (distance) C4'-P energy: -9.375
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -8.047
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -14.232
Dist. restrs. and SS energy: 8.444 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -229.358672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.358672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.417199 (E_RNA)
where:
Base-Base interactions energy: -168.076
where: short stacking energy: -70.982
Base-Backbone interact. energy: -0.045
local terms energy: -61.296505
where:
bonds (distance) C4'-P energy: -10.873
bonds (distance) P-C4' energy: -13.298
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -4.619
tors. eta vs tors. theta energy: -18.015
Dist. restrs. and SS energy: 0.059 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -221.807181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.807181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.843575 (E_RNA)
where:
Base-Base interactions energy: -152.767
where: short stacking energy: -62.148
Base-Backbone interact. energy: -0.279
local terms energy: -68.797059
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -10.470
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: -17.338
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: 8
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -210.992064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.992064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.013865 (E_RNA)
where:
Base-Base interactions energy: -151.305
where: short stacking energy: -58.949
Base-Backbone interact. energy: -0.094
local terms energy: -59.614581
where:
bonds (distance) C4'-P energy: -13.737
bonds (distance) P-C4' energy: -12.119
flat angles C4'-P-C4' energy: -11.809
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -12.423
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -221.816954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.816954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.947820 (E_RNA)
where:
Base-Base interactions energy: -163.384
where: short stacking energy: -63.766
Base-Backbone interact. energy: -0.056
local terms energy: -58.506936
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -12.735
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -4.730
tors. eta vs tors. theta energy: -15.899
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -204.163615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.163615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.199347 (E_RNA)
where:
Base-Base interactions energy: -141.921
where: short stacking energy: -53.652
Base-Backbone interact. energy: -0.006
local terms energy: -62.272022
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -11.236
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: 480
Temperature: 1.150000
Total energy: -208.420447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.420447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.533379 (E_RNA)
where:
Base-Base interactions energy: -145.962
where: short stacking energy: -61.205
Base-Backbone interact. energy: -0.024
local terms energy: -62.547877
where:
bonds (distance) C4'-P energy: -13.863
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -11.878
flat angles P-C4'-P energy: -7.377
tors. eta vs tors. theta energy: -17.386
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -198.946648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.946648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.972568 (E_RNA)
where:
Base-Base interactions energy: -137.951
where: short stacking energy: -53.936
Base-Backbone interact. energy: 0.482
local terms energy: -61.503946
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -10.909
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -14.332
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: 480
Temperature: 1.250000
Total energy: -194.280505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.280505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.337624 (E_RNA)
where:
Base-Base interactions energy: -131.923
where: short stacking energy: -52.551
Base-Backbone interact. energy: -0.027
local terms energy: -62.387057
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -9.276
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -16.294
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -175.036424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.036424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.590310 (E_RNA)
where:
Base-Base interactions energy: -130.995
where: short stacking energy: -59.437
Base-Backbone interact. energy: -0.055
local terms energy: -54.540992
where:
bonds (distance) C4'-P energy: -10.203
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -7.973
tors. eta vs tors. theta energy: -11.448
Dist. restrs. and SS energy: 10.554 (S_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: 480
Temperature: 1.350000
Total energy: -190.670899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.670899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.704189 (E_RNA)
where:
Base-Base interactions energy: -137.624
where: short stacking energy: -56.481
Base-Backbone interact. energy: 0.908
local terms energy: -53.988437
where:
bonds (distance) C4'-P energy: -10.203
bonds (distance) P-C4' energy: -10.985
flat angles C4'-P-C4' energy: -12.732
flat angles P-C4'-P energy: -8.595
tors. eta vs tors. theta energy: -11.474
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: 6
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -231.859326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.859326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.873445 (E_RNA)
where:
Base-Base interactions energy: -168.373
where: short stacking energy: -69.062
Base-Backbone interact. energy: -0.009
local terms energy: -63.491826
where:
bonds (distance) C4'-P energy: -14.244
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -3.695
tors. eta vs tors. theta energy: -16.779
Dist. restrs. and SS energy: 0.014 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -218.622734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.622734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.627112 (E_RNA)
where:
Base-Base interactions energy: -166.198
where: short stacking energy: -65.188
Base-Backbone interact. energy: -0.438
local terms energy: -51.991502
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -10.697
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -1.713
tors. eta vs tors. theta energy: -15.334
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: 481
Temperature: 1.000000
Total energy: -218.439565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.439565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.452201 (E_RNA)
where:
Base-Base interactions energy: -161.960
where: short stacking energy: -64.603
Base-Backbone interact. energy: -0.084
local terms energy: -56.408430
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -9.356
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -13.118
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -208.400070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.400070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.429870 (E_RNA)
where:
Base-Base interactions energy: -145.680
where: short stacking energy: -57.769
Base-Backbone interact. energy: -0.001
local terms energy: -62.749333
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -12.185
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -14.747
Dist. restrs. and SS energy: 0.030 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -207.698936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.698936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.707651 (E_RNA)
where:
Base-Base interactions energy: -148.520
where: short stacking energy: -60.411
Base-Backbone interact. energy: -0.175
local terms energy: -59.012105
where:
bonds (distance) C4'-P energy: -8.235
bonds (distance) P-C4' energy: -13.881
flat angles C4'-P-C4' energy: -12.197
flat angles P-C4'-P energy: -8.637
tors. eta vs tors. theta energy: -16.061
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -205.784379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.784379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.796135 (E_RNA)
where:
Base-Base interactions energy: -145.248
where: short stacking energy: -56.671
Base-Backbone interact. energy: -0.044
local terms energy: -60.504764
where:
bonds (distance) C4'-P energy: -9.298
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -11.425
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: 481
Temperature: 1.200000
Total energy: -209.133246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.133246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.336558 (E_RNA)
where:
Base-Base interactions energy: -143.033
where: short stacking energy: -64.331
Base-Backbone interact. energy: -0.001
local terms energy: -66.301786
where:
bonds (distance) C4'-P energy: -12.947
bonds (distance) P-C4' energy: -10.893
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -17.722
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: 8, replica: 5
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -179.287415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.287415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.834020 (E_RNA)
where:
Base-Base interactions energy: -118.534
where: short stacking energy: -54.462
Base-Backbone interact. energy: -0.614
local terms energy: -67.686054
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -14.790
Dist. restrs. and SS energy: 7.547 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -196.068711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.068711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.117846 (E_RNA)
where:
Base-Base interactions energy: -138.418
where: short stacking energy: -55.266
Base-Backbone interact. energy: -0.269
local terms energy: -57.430918
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -11.520
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -5.295
tors. eta vs tors. theta energy: -17.450
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: 9
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -197.825279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.825279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.997968 (E_RNA)
where:
Base-Base interactions energy: -134.188
where: short stacking energy: -59.081
Base-Backbone interact. energy: -0.000
local terms energy: -63.810206
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -11.826
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -14.750
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: 8
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -227.211950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.211950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.237350 (E_RNA)
where:
Base-Base interactions energy: -166.026
where: short stacking energy: -61.319
Base-Backbone interact. energy: -0.007
local terms energy: -61.204435
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -6.123
tors. eta vs tors. theta energy: -14.600
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -223.647555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.647555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.723803 (E_RNA)
where:
Base-Base interactions energy: -163.179
where: short stacking energy: -63.731
Base-Backbone interact. energy: -0.702
local terms energy: -59.842600
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -11.773
flat angles P-C4'-P energy: -2.538
tors. eta vs tors. theta energy: -16.682
Dist. restrs. and SS energy: 0.076 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -221.261608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.261608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.521926 (E_RNA)
where:
Base-Base interactions energy: -158.767
where: short stacking energy: -64.392
Base-Backbone interact. energy: -0.008
local terms energy: -62.746495
where:
bonds (distance) C4'-P energy: -12.662
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -10.738
flat angles P-C4'-P energy: -7.433
tors. eta vs tors. theta energy: -17.599
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: 4, replica: 2
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -218.599514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.599514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.631603 (E_RNA)
where:
Base-Base interactions energy: -151.684
where: short stacking energy: -61.170
Base-Backbone interact. energy: -0.041
local terms energy: -66.906089
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -14.181
Dist. restrs. and SS energy: 0.032 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -213.384044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.384044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.515336 (E_RNA)
where:
Base-Base interactions energy: -148.482
where: short stacking energy: -61.580
Base-Backbone interact. energy: -0.005
local terms energy: -65.027842
where:
bonds (distance) C4'-P energy: -12.275
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -15.572
Dist. restrs. and SS energy: 0.131 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -200.878779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.878779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.884318 (E_RNA)
where:
Base-Base interactions energy: -143.280
where: short stacking energy: -58.863
Base-Backbone interact. energy: 0.784
local terms energy: -58.389143
where:
bonds (distance) C4'-P energy: -9.005
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -7.669
tors. eta vs tors. theta energy: -16.689
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: 482
Temperature: 1.200000
Total energy: -208.173260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.173260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.179011 (E_RNA)
where:
Base-Base interactions energy: -142.447
where: short stacking energy: -54.294
Base-Backbone interact. energy: -0.476
local terms energy: -65.255558
where:
bonds (distance) C4'-P energy: -9.469
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -14.638
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -15.317
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -176.289249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.289249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.118732 (E_RNA)
where:
Base-Base interactions energy: -126.154
where: short stacking energy: -54.942
Base-Backbone interact. energy: -1.619
local terms energy: -56.346388
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -10.422
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -13.016
Dist. restrs. and SS energy: 7.829 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -195.063356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.063356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.164724 (E_RNA)
where:
Base-Base interactions energy: -144.171
where: short stacking energy: -54.463
Base-Backbone interact. energy: -0.180
local terms energy: -50.813988
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -10.623
flat angles C4'-P-C4' energy: -8.257
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -11.338
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: 3
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -191.297841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.297841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.416358 (E_RNA)
where:
Base-Base interactions energy: -129.644
where: short stacking energy: -51.894
Base-Backbone interact. energy: -0.044
local terms energy: -61.728581
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -11.855
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -12.454
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: 8
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -227.835867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.835867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.907657 (E_RNA)
where:
Base-Base interactions energy: -167.362
where: short stacking energy: -64.702
Base-Backbone interact. energy: -0.318
local terms energy: -60.227560
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -10.805
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -5.742
tors. eta vs tors. theta energy: -14.924
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: 4
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -225.385606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.385606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.395007 (E_RNA)
where:
Base-Base interactions energy: -163.595
where: short stacking energy: -67.626
Base-Backbone interact. energy: -0.044
local terms energy: -61.755668
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -14.297
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -3.421
tors. eta vs tors. theta energy: -16.696
Dist. restrs. and SS energy: 0.009 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -213.166560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.166560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.166560 (E_RNA)
where:
Base-Base interactions energy: -148.774
where: short stacking energy: -61.393
Base-Backbone interact. energy: -0.609
local terms energy: -63.783392
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -14.084
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -13.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -213.102434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.102434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.143051 (E_RNA)
where:
Base-Base interactions energy: -143.502
where: short stacking energy: -59.911
Base-Backbone interact. energy: -0.002
local terms energy: -69.638318
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -15.334
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: 483
Temperature: 1.100000
Total energy: -219.424517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.424517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.637555 (E_RNA)
where:
Base-Base interactions energy: -159.876
where: short stacking energy: -65.275
Base-Backbone interact. energy: -0.005
local terms energy: -59.757347
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -12.497
flat angles P-C4'-P energy: -3.655
tors. eta vs tors. theta energy: -17.797
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: 6, replica: 10
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -206.495662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.495662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.497486 (E_RNA)
where:
Base-Base interactions energy: -148.618
where: short stacking energy: -58.438
Base-Backbone interact. energy: 0.088
local terms energy: -57.966651
where:
bonds (distance) C4'-P energy: -8.401
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -11.143
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -14.970
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: 1
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -206.914847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.914847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.939566 (E_RNA)
where:
Base-Base interactions energy: -151.469
where: short stacking energy: -52.245
Base-Backbone interact. energy: -0.201
local terms energy: -55.268957
where:
bonds (distance) C4'-P energy: -6.531
bonds (distance) P-C4' energy: -12.160
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -13.410
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: 9
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -194.019813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.019813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.057764 (E_RNA)
where:
Base-Base interactions energy: -133.387
where: short stacking energy: -50.517
Base-Backbone interact. energy: -0.019
local terms energy: -60.652157
where:
bonds (distance) C4'-P energy: -10.435
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -13.801
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -181.630225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.630225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.527761 (E_RNA)
where:
Base-Base interactions energy: -126.731
where: short stacking energy: -56.341
Base-Backbone interact. energy: -0.363
local terms energy: -61.433436
where:
bonds (distance) C4'-P energy: -11.731
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -14.662
Dist. restrs. and SS energy: 6.898 (S_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: 483
Temperature: 1.350000
Total energy: -188.614071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.614071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.615382 (E_RNA)
where:
Base-Base interactions energy: -130.912
where: short stacking energy: -48.129
Base-Backbone interact. energy: -0.044
local terms energy: -57.658620
where:
bonds (distance) C4'-P energy: -10.410
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -5.378
tors. eta vs tors. theta energy: -14.015
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: 4
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -226.701746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.701746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.722538 (E_RNA)
where:
Base-Base interactions energy: -161.617
where: short stacking energy: -64.971
Base-Backbone interact. energy: -0.000
local terms energy: -65.105199
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -11.964
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -15.907
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: 484
Temperature: 0.950000
Total energy: -227.492061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.492061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.501218 (E_RNA)
where:
Base-Base interactions energy: -168.163
where: short stacking energy: -63.245
Base-Backbone interact. energy: -0.843
local terms energy: -58.495735
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -1.133
tors. eta vs tors. theta energy: -14.394
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: 484
Temperature: 1.000000
Total energy: -214.654740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.654740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.712565 (E_RNA)
where:
Base-Base interactions energy: -158.552
where: short stacking energy: -59.211
Base-Backbone interact. energy: -0.016
local terms energy: -56.144860
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -10.548
flat angles P-C4'-P energy: -5.921
tors. eta vs tors. theta energy: -14.493
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: 484
Temperature: 1.050000
Total energy: -202.227008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.227008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.340360 (E_RNA)
where:
Base-Base interactions energy: -148.922
where: short stacking energy: -62.118
Base-Backbone interact. energy: -1.364
local terms energy: -52.054284
where:
bonds (distance) C4'-P energy: -7.764
bonds (distance) P-C4' energy: -10.113
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: -10.795
Dist. restrs. and SS energy: 0.113 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -206.843980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.843980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.857234 (E_RNA)
where:
Base-Base interactions energy: -146.655
where: short stacking energy: -63.210
Base-Backbone interact. energy: -0.020
local terms energy: -60.182297
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -14.599
flat angles C4'-P-C4' energy: -11.665
flat angles P-C4'-P energy: -4.059
tors. eta vs tors. theta energy: -16.423
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -202.350301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.350301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.423528 (E_RNA)
where:
Base-Base interactions energy: -149.582
where: short stacking energy: -53.478
Base-Backbone interact. energy: -0.026
local terms energy: -52.815882
where:
bonds (distance) C4'-P energy: -9.553
bonds (distance) P-C4' energy: -12.209
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -2.964
tors. eta vs tors. theta energy: -16.439
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -199.334980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.334980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.450517 (E_RNA)
where:
Base-Base interactions energy: -138.316
where: short stacking energy: -54.499
Base-Backbone interact. energy: -0.051
local terms energy: -61.084144
where:
bonds (distance) C4'-P energy: -7.259
bonds (distance) P-C4' energy: -12.303
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -16.937
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: 484
Temperature: 1.250000
Total energy: -195.194640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.194640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.246064 (E_RNA)
where:
Base-Base interactions energy: -143.893
where: short stacking energy: -62.199
Base-Backbone interact. energy: -0.015
local terms energy: -51.338528
where:
bonds (distance) C4'-P energy: -4.037
bonds (distance) P-C4' energy: -12.863
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -5.734
tors. eta vs tors. theta energy: -16.523
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: 3
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -192.088801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.088801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.274283 (E_RNA)
where:
Base-Base interactions energy: -131.489
where: short stacking energy: -52.619
Base-Backbone interact. energy: -0.019
local terms energy: -60.765900
where:
bonds (distance) C4'-P energy: -10.852
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -12.290
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: -14.750
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: 10, replica: 5
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -174.819607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.819607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.234242 (E_RNA)
where:
Base-Base interactions energy: -134.088
where: short stacking energy: -50.562
Base-Backbone interact. energy: -0.386
local terms energy: -48.760606
where:
bonds (distance) C4'-P energy: -8.432
bonds (distance) P-C4' energy: -11.274
flat angles C4'-P-C4' energy: -9.082
flat angles P-C4'-P energy: -5.825
tors. eta vs tors. theta energy: -14.148
Dist. restrs. and SS energy: 8.415 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -232.289614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.289614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.372535 (E_RNA)
where:
Base-Base interactions energy: -168.816
where: short stacking energy: -68.452
Base-Backbone interact. energy: -0.318
local terms energy: -63.239067
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -5.629
tors. eta vs tors. theta energy: -17.205
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: 2
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -221.914864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.914864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.970350 (E_RNA)
where:
Base-Base interactions energy: -161.968
where: short stacking energy: -64.435
Base-Backbone interact. energy: -0.235
local terms energy: -59.766827
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -14.170
flat angles P-C4'-P energy: -4.785
tors. eta vs tors. theta energy: -14.490
Dist. restrs. and SS energy: 0.055 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -226.156687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.156687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.156687 (E_RNA)
where:
Base-Base interactions energy: -167.034
where: short stacking energy: -63.835
Base-Backbone interact. energy: -0.301
local terms energy: -58.821766
where:
bonds (distance) C4'-P energy: -7.500
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -6.240
tors. eta vs tors. theta energy: -17.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -212.974568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.974568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.981342 (E_RNA)
where:
Base-Base interactions energy: -148.470
where: short stacking energy: -62.291
Base-Backbone interact. energy: -0.240
local terms energy: -64.271378
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -13.002
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -17.565
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -207.832337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.832337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.857561 (E_RNA)
where:
Base-Base interactions energy: -145.413
where: short stacking energy: -60.344
Base-Backbone interact. energy: -0.001
local terms energy: -62.443153
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -11.194
flat angles C4'-P-C4' energy: -11.352
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -15.593
Dist. restrs. and SS energy: 0.025 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -201.171682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.171682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.295821 (E_RNA)
where:
Base-Base interactions energy: -136.197
where: short stacking energy: -57.928
Base-Backbone interact. energy: -0.000
local terms energy: -65.098667
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -11.023
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -14.408
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: 7
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -204.421481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.421481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.520341 (E_RNA)
where:
Base-Base interactions energy: -143.118
where: short stacking energy: -56.975
Base-Backbone interact. energy: -0.240
local terms energy: -61.161900
where:
bonds (distance) C4'-P energy: -10.278
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -9.484
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -18.536
Dist. restrs. and SS energy: 0.099 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -206.656096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.656096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.682819 (E_RNA)
where:
Base-Base interactions energy: -150.472
where: short stacking energy: -62.184
Base-Backbone interact. energy: -0.001
local terms energy: -56.210314
where:
bonds (distance) C4'-P energy: -9.614
bonds (distance) P-C4' energy: -11.060
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -7.193
tors. eta vs tors. theta energy: -13.251
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: 9, replica: 1
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -194.990487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.990487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.241679 (E_RNA)
where:
Base-Base interactions energy: -132.784
where: short stacking energy: -58.873
Base-Backbone interact. energy: -0.479
local terms energy: -61.979232
where:
bonds (distance) C4'-P energy: -10.686
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -11.478
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -14.039
Dist. restrs. and SS energy: 0.251 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -178.730650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.730650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.495655 (E_RNA)
where:
Base-Base interactions energy: -128.308
where: short stacking energy: -51.217
Base-Backbone interact. energy: -0.003
local terms energy: -56.183778
where:
bonds (distance) C4'-P energy: -13.222
bonds (distance) P-C4' energy: -10.941
flat angles C4'-P-C4' energy: -8.880
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -13.239
Dist. restrs. and SS energy: 5.765 (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: 2
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -214.034411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.034411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.034411 (E_RNA)
where:
Base-Base interactions energy: -152.315
where: short stacking energy: -58.752
Base-Backbone interact. energy: -0.001
local terms energy: -61.718568
where:
bonds (distance) C4'-P energy: -10.110
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -14.825
flat angles P-C4'-P energy: -6.395
tors. eta vs tors. theta energy: -15.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -222.973921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.973921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.973921 (E_RNA)
where:
Base-Base interactions energy: -165.051
where: short stacking energy: -60.680
Base-Backbone interact. energy: -0.002
local terms energy: -57.920946
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -13.366
flat angles P-C4'-P energy: -2.348
tors. eta vs tors. theta energy: -14.784
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -218.607604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.607604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.829894 (E_RNA)
where:
Base-Base interactions energy: -153.555
where: short stacking energy: -59.361
Base-Backbone interact. energy: -0.131
local terms energy: -65.144090
where:
bonds (distance) C4'-P energy: -13.482
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -14.611
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: 8
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -221.196504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.196504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.209198 (E_RNA)
where:
Base-Base interactions energy: -165.449
where: short stacking energy: -67.699
Base-Backbone interact. energy: -0.005
local terms energy: -55.754613
where:
bonds (distance) C4'-P energy: -10.386
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -13.085
flat angles P-C4'-P energy: -2.412
tors. eta vs tors. theta energy: -16.620
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -214.390351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.390351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.492310 (E_RNA)
where:
Base-Base interactions energy: -155.687
where: short stacking energy: -62.478
Base-Backbone interact. energy: -0.109
local terms energy: -58.695662
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -11.306
flat angles C4'-P-C4' energy: -11.692
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -12.192
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: 9
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -208.182609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.182609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.267984 (E_RNA)
where:
Base-Base interactions energy: -158.814
where: short stacking energy: -60.670
Base-Backbone interact. energy: 0.629
local terms energy: -50.082870
where:
bonds (distance) C4'-P energy: -8.940
bonds (distance) P-C4' energy: -10.922
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -3.951
tors. eta vs tors. theta energy: -14.109
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: 486
Temperature: 1.200000
Total energy: -198.922556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.922556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.010053 (E_RNA)
where:
Base-Base interactions energy: -138.502
where: short stacking energy: -53.763
Base-Backbone interact. energy: -0.346
local terms energy: -60.162056
where:
bonds (distance) C4'-P energy: -10.467
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -10.648
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -15.349
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: 7
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -197.771573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.771573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.062556 (E_RNA)
where:
Base-Base interactions energy: -139.735
where: short stacking energy: -59.656
Base-Backbone interact. energy: -0.005
local terms energy: -58.322877
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -9.757
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -15.178
Dist. restrs. and SS energy: 0.291 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -175.095412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.095412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.352475 (E_RNA)
where:
Base-Base interactions energy: -123.715
where: short stacking energy: -51.666
Base-Backbone interact. energy: -0.964
local terms energy: -59.673175
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -11.810
flat angles P-C4'-P energy: -6.178
tors. eta vs tors. theta energy: -14.883
Dist. restrs. and SS energy: 9.257 (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: 1
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -191.285972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.285972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.800350 (E_RNA)
where:
Base-Base interactions energy: -130.937
where: short stacking energy: -53.357
Base-Backbone interact. energy: -0.012
local terms energy: -60.851480
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -5.769
tors. eta vs tors. theta energy: -15.235
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: 1, replica: 2
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -223.400315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.400315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.502368 (E_RNA)
where:
Base-Base interactions energy: -161.560
where: short stacking energy: -62.307
Base-Backbone interact. energy: -0.251
local terms energy: -61.691355
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -6.391
tors. eta vs tors. theta energy: -14.690
Dist. restrs. and SS energy: 0.102 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -228.186291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.186291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.192789 (E_RNA)
where:
Base-Base interactions energy: -166.667
where: short stacking energy: -65.334
Base-Backbone interact. energy: 0.145
local terms energy: -61.670640
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -1.582
tors. eta vs tors. theta energy: -18.418
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -213.573597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.573597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.573597 (E_RNA)
where:
Base-Base interactions energy: -149.597
where: short stacking energy: -63.111
Base-Backbone interact. energy: -0.330
local terms energy: -63.646158
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -6.442
tors. eta vs tors. theta energy: -17.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -210.037303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.037303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.058110 (E_RNA)
where:
Base-Base interactions energy: -146.759
where: short stacking energy: -59.196
Base-Backbone interact. energy: 0.142
local terms energy: -63.440589
where:
bonds (distance) C4'-P energy: -11.872
bonds (distance) P-C4' energy: -13.007
flat angles C4'-P-C4' energy: -11.929
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -15.479
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: 8
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -209.075944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.075944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.099375 (E_RNA)
where:
Base-Base interactions energy: -151.710
where: short stacking energy: -55.459
Base-Backbone interact. energy: -0.064
local terms energy: -57.325429
where:
bonds (distance) C4'-P energy: -11.905
bonds (distance) P-C4' energy: -11.070
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -5.707
tors. eta vs tors. theta energy: -14.088
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -206.938750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.938750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.005342 (E_RNA)
where:
Base-Base interactions energy: -145.021
where: short stacking energy: -60.420
Base-Backbone interact. energy: 0.925
local terms energy: -62.908949
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -13.162
flat angles C4'-P-C4' energy: -10.097
flat angles P-C4'-P energy: -7.388
tors. eta vs tors. theta energy: -19.067
Dist. restrs. and SS energy: 0.067 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -200.694964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.694964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.811215 (E_RNA)
where:
Base-Base interactions energy: -148.455
where: short stacking energy: -60.435
Base-Backbone interact. energy: -0.000
local terms energy: -52.356083
where:
bonds (distance) C4'-P energy: -7.579
bonds (distance) P-C4' energy: -9.837
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -4.662
tors. eta vs tors. theta energy: -16.285
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: 5
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -184.369137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.369137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.404854 (E_RNA)
where:
Base-Base interactions energy: -140.172
where: short stacking energy: -57.624
Base-Backbone interact. energy: -0.595
local terms energy: -50.638649
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -5.609
flat angles C4'-P-C4' energy: -9.532
flat angles P-C4'-P energy: -5.754
tors. eta vs tors. theta energy: -15.917
Dist. restrs. and SS energy: 7.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -195.212985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.212985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.214352 (E_RNA)
where:
Base-Base interactions energy: -137.211
where: short stacking energy: -53.026
Base-Backbone interact. energy: -0.754
local terms energy: -57.249491
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -10.889
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -13.860
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: 487
Temperature: 1.350000
Total energy: -189.190486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.190486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.280084 (E_RNA)
where:
Base-Base interactions energy: -134.486
where: short stacking energy: -50.576
Base-Backbone interact. energy: 1.264
local terms energy: -56.057886
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -11.817
flat angles C4'-P-C4' energy: -13.617
flat angles P-C4'-P energy: -7.043
tors. eta vs tors. theta energy: -11.520
Dist. restrs. and SS energy: 0.090 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -231.165146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.165146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.215658 (E_RNA)
where:
Base-Base interactions energy: -166.242
where: short stacking energy: -66.253
Base-Backbone interact. energy: -0.008
local terms energy: -64.966011
where:
bonds (distance) C4'-P energy: -12.210
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -5.754
tors. eta vs tors. theta energy: -19.889
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: 4
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -216.065990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.065990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.109407 (E_RNA)
where:
Base-Base interactions energy: -159.914
where: short stacking energy: -64.433
Base-Backbone interact. energy: -0.054
local terms energy: -56.141390
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -11.464
flat angles C4'-P-C4' energy: -8.734
flat angles P-C4'-P energy: -6.351
tors. eta vs tors. theta energy: -17.220
Dist. restrs. and SS energy: 0.043 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -216.378270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.378270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.410199 (E_RNA)
where:
Base-Base interactions energy: -149.263
where: short stacking energy: -64.219
Base-Backbone interact. energy: -0.011
local terms energy: -67.136784
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -16.128
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: 6
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -210.363970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.363970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.440212 (E_RNA)
where:
Base-Base interactions energy: -147.643
where: short stacking energy: -58.174
Base-Backbone interact. energy: -0.084
local terms energy: -62.712991
where:
bonds (distance) C4'-P energy: -11.887
bonds (distance) P-C4' energy: -12.075
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -16.669
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: 3
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -204.325570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.325570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.376782 (E_RNA)
where:
Base-Base interactions energy: -148.282
where: short stacking energy: -58.853
Base-Backbone interact. energy: -0.066
local terms energy: -56.028284
where:
bonds (distance) C4'-P energy: -11.092
bonds (distance) P-C4' energy: -12.698
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -6.476
tors. eta vs tors. theta energy: -11.884
Dist. restrs. and SS energy: 0.051 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -219.376119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.376119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.569482 (E_RNA)
where:
Base-Base interactions energy: -159.337
where: short stacking energy: -63.464
Base-Backbone interact. energy: -0.292
local terms energy: -59.941169
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -12.069
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -3.548
tors. eta vs tors. theta energy: -17.176
Dist. restrs. and SS energy: 0.193 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -206.736873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.736873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.736873 (E_RNA)
where:
Base-Base interactions energy: -147.946
where: short stacking energy: -58.746
Base-Backbone interact. energy: -0.191
local terms energy: -58.599683
where:
bonds (distance) C4'-P energy: -9.143
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -8.898
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -15.019
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: 8, replica: 5
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -187.849750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.849750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.699553 (E_RNA)
where:
Base-Base interactions energy: -133.466
where: short stacking energy: -52.138
Base-Backbone interact. energy: -0.307
local terms energy: -60.925924
where:
bonds (distance) C4'-P energy: -10.050
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -10.888
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -15.892
Dist. restrs. and SS energy: 6.850 (S_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: 488
Temperature: 1.300000
Total energy: -198.469580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.469580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.579807 (E_RNA)
where:
Base-Base interactions energy: -134.265
where: short stacking energy: -54.936
Base-Backbone interact. energy: -0.067
local terms energy: -64.247970
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -12.675
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -16.082
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: 488
Temperature: 1.350000
Total energy: -185.300388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.300388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.331083 (E_RNA)
where:
Base-Base interactions energy: -134.973
where: short stacking energy: -56.869
Base-Backbone interact. energy: -0.029
local terms energy: -50.328983
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -8.071
flat angles C4'-P-C4' energy: -9.066
flat angles P-C4'-P energy: -7.982
tors. eta vs tors. theta energy: -14.700
Dist. restrs. and SS energy: 0.031 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -223.841856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.841856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.868766 (E_RNA)
where:
Base-Base interactions energy: -155.367
where: short stacking energy: -68.463
Base-Backbone interact. energy: -0.286
local terms energy: -68.216075
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -12.751
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -17.451
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: 489
Temperature: 0.950000
Total energy: -218.802428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.802428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.810908 (E_RNA)
where:
Base-Base interactions energy: -151.012
where: short stacking energy: -61.856
Base-Backbone interact. energy: 0.278
local terms energy: -68.075976
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -13.290
flat angles C4'-P-C4' energy: -13.770
flat angles P-C4'-P energy: -7.248
tors. eta vs tors. theta energy: -18.179
Dist. restrs. and SS energy: 0.008 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -219.283298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.283298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.374378 (E_RNA)
where:
Base-Base interactions energy: -162.874
where: short stacking energy: -60.460
Base-Backbone interact. energy: -0.000
local terms energy: -56.500317
where:
bonds (distance) C4'-P energy: -9.616
bonds (distance) P-C4' energy: -12.231
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -1.608
tors. eta vs tors. theta energy: -18.384
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: 489
Temperature: 1.050000
Total energy: -213.728614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.728614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.805459 (E_RNA)
where:
Base-Base interactions energy: -146.407
where: short stacking energy: -66.194
Base-Backbone interact. energy: -0.001
local terms energy: -67.396824
where:
bonds (distance) C4'-P energy: -10.057
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -12.430
flat angles P-C4'-P energy: -11.570
tors. eta vs tors. theta energy: -18.124
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: 6
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -212.114081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.114081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.114081 (E_RNA)
where:
Base-Base interactions energy: -148.565
where: short stacking energy: -62.784
Base-Backbone interact. energy: -0.001
local terms energy: -63.548731
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: -16.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -222.353816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.353816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.401573 (E_RNA)
where:
Base-Base interactions energy: -166.712
where: short stacking energy: -62.124
Base-Backbone interact. energy: -0.588
local terms energy: -55.101212
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -2.588
tors. eta vs tors. theta energy: -15.206
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: 9
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -200.441625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.441625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.441625 (E_RNA)
where:
Base-Base interactions energy: -138.794
where: short stacking energy: -55.187
Base-Backbone interact. energy: -0.106
local terms energy: -61.541365
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: -16.162
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -197.781432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.781432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.803986 (E_RNA)
where:
Base-Base interactions energy: -135.756
where: short stacking energy: -57.518
Base-Backbone interact. energy: -0.156
local terms energy: -61.892344
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -12.117
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -19.281
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -171.421293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.421293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.683265 (E_RNA)
where:
Base-Base interactions energy: -127.194
where: short stacking energy: -58.405
Base-Backbone interact. energy: -0.162
local terms energy: -53.327327
where:
bonds (distance) C4'-P energy: -9.649
bonds (distance) P-C4' energy: -10.942
flat angles C4'-P-C4' energy: -9.733
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -13.463
Dist. restrs. and SS energy: 9.262 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -186.660416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.660416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.925119 (E_RNA)
where:
Base-Base interactions energy: -134.742
where: short stacking energy: -53.108
Base-Backbone interact. energy: -0.000
local terms energy: -52.183066
where:
bonds (distance) C4'-P energy: -8.753
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -9.313
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -11.016
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: 1, replica: 10
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -223.216355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.216355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.276838 (E_RNA)
where:
Base-Base interactions energy: -152.423
where: short stacking energy: -66.232
Base-Backbone interact. energy: -0.001
local terms energy: -70.853167
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -19.208
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: 2
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -216.175964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.175964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.457850 (E_RNA)
where:
Base-Base interactions energy: -153.405
where: short stacking energy: -65.366
Base-Backbone interact. energy: -0.005
local terms energy: -63.048220
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -11.139
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -18.415
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: 3, replica: 4
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -215.803677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.803677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.829691 (E_RNA)
where:
Base-Base interactions energy: -149.266
where: short stacking energy: -64.114
Base-Backbone interact. energy: -0.041
local terms energy: -66.522987
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -14.257
Dist. restrs. and SS energy: 0.026 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -229.791639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.791639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.813164 (E_RNA)
where:
Base-Base interactions energy: -170.577
where: short stacking energy: -68.233
Base-Backbone interact. energy: -0.004
local terms energy: -59.231946
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -3.568
tors. eta vs tors. theta energy: -18.125
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: 5, replica: 8
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -212.159218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.159218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.232603 (E_RNA)
where:
Base-Base interactions energy: -152.487
where: short stacking energy: -65.492
Base-Backbone interact. energy: -0.453
local terms energy: -59.292783
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -11.385
flat angles C4'-P-C4' energy: -13.369
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -14.062
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: 490
Temperature: 1.150000
Total energy: -203.693145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.693145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.731548 (E_RNA)
where:
Base-Base interactions energy: -142.663
where: short stacking energy: -55.679
Base-Backbone interact. energy: -0.065
local terms energy: -61.003800
where:
bonds (distance) C4'-P energy: -10.878
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -11.305
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -16.112
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -214.365144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.365144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.435207 (E_RNA)
where:
Base-Base interactions energy: -142.517
where: short stacking energy: -60.214
Base-Backbone interact. energy: -0.282
local terms energy: -71.636772
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -13.579
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -18.931
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: 9
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -202.064864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.064864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.222412 (E_RNA)
where:
Base-Base interactions energy: -141.386
where: short stacking energy: -55.529
Base-Backbone interact. energy: 0.965
local terms energy: -61.801683
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -15.270
Dist. restrs. and SS energy: 0.158 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -194.847468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.847468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.312802 (E_RNA)
where:
Base-Base interactions energy: -134.954
where: short stacking energy: -61.694
Base-Backbone interact. energy: -0.002
local terms energy: -60.356831
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -9.628
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -16.776
Dist. restrs. and SS energy: 0.465 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -187.542011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.542011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.349026 (E_RNA)
where:
Base-Base interactions energy: -134.538
where: short stacking energy: -49.282
Base-Backbone interact. energy: -0.099
local terms energy: -60.711186
where:
bonds (distance) C4'-P energy: -9.195
bonds (distance) P-C4' energy: -13.001
flat angles C4'-P-C4' energy: -11.030
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -15.468
Dist. restrs. and SS energy: 7.807 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -219.613452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.613452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.613452 (E_RNA)
where:
Base-Base interactions energy: -148.675
where: short stacking energy: -62.422
Base-Backbone interact. energy: -0.086
local terms energy: -70.853121
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -12.901
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -17.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -220.793232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.793232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.935987 (E_RNA)
where:
Base-Base interactions energy: -157.428
where: short stacking energy: -61.203
Base-Backbone interact. energy: -0.001
local terms energy: -63.507342
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -12.339
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -15.111
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: 491
Temperature: 1.000000
Total energy: -226.629484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.629484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.642317 (E_RNA)
where:
Base-Base interactions energy: -165.341
where: short stacking energy: -69.364
Base-Backbone interact. energy: -0.002
local terms energy: -61.299948
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -11.774
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -6.408
tors. eta vs tors. theta energy: -15.368
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: 491
Temperature: 1.050000
Total energy: -219.587349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.587349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.587349 (E_RNA)
where:
Base-Base interactions energy: -163.211
where: short stacking energy: -65.769
Base-Backbone interact. energy: -0.004
local terms energy: -56.372662
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -9.151
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -3.131
tors. eta vs tors. theta energy: -17.365
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: 5, replica: 8
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -220.684199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.684199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.706523 (E_RNA)
where:
Base-Base interactions energy: -160.575
where: short stacking energy: -59.134
Base-Backbone interact. energy: -0.017
local terms energy: -60.114347
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -6.660
tors. eta vs tors. theta energy: -12.339
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: 491
Temperature: 1.150000
Total energy: -208.811969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.811969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.829202 (E_RNA)
where:
Base-Base interactions energy: -151.211
where: short stacking energy: -62.600
Base-Backbone interact. energy: -0.002
local terms energy: -57.615329
where:
bonds (distance) C4'-P energy: -11.398
bonds (distance) P-C4' energy: -9.867
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: -13.698
Dist. restrs. and SS energy: 0.017 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -202.071932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.071932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.158914 (E_RNA)
where:
Base-Base interactions energy: -151.942
where: short stacking energy: -56.799
Base-Backbone interact. energy: -0.003
local terms energy: -50.213792
where:
bonds (distance) C4'-P energy: -9.614
bonds (distance) P-C4' energy: -8.949
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -4.739
tors. eta vs tors. theta energy: -13.924
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: 7
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -191.735136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.735136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.806255 (E_RNA)
where:
Base-Base interactions energy: -136.493
where: short stacking energy: -51.875
Base-Backbone interact. energy: 0.004
local terms energy: -55.317208
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -12.206
flat angles P-C4'-P energy: -8.394
tors. eta vs tors. theta energy: -10.034
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: 9
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -194.911510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.911510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.054806 (E_RNA)
where:
Base-Base interactions energy: -136.753
where: short stacking energy: -45.815
Base-Backbone interact. energy: -0.135
local terms energy: -58.167104
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -12.070
Dist. restrs. and SS energy: 0.143 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -172.545466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.545466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.895915 (E_RNA)
where:
Base-Base interactions energy: -120.701
where: short stacking energy: -43.286
Base-Backbone interact. energy: -0.732
local terms energy: -58.463210
where:
bonds (distance) C4'-P energy: -11.076
bonds (distance) P-C4' energy: -16.028
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -6.790
tors. eta vs tors. theta energy: -12.932
Dist. restrs. and SS energy: 7.350 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -229.947227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.947227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.053145 (E_RNA)
where:
Base-Base interactions energy: -169.127
where: short stacking energy: -67.844
Base-Backbone interact. energy: -0.093
local terms energy: -60.832885
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -12.800
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -6.090
tors. eta vs tors. theta energy: -14.574
Dist. restrs. and SS energy: 0.106 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -216.222353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.222353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.222353 (E_RNA)
where:
Base-Base interactions energy: -146.662
where: short stacking energy: -58.451
Base-Backbone interact. energy: -0.728
local terms energy: -68.832935
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -18.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -218.543448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.543448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.605949 (E_RNA)
where:
Base-Base interactions energy: -157.667
where: short stacking energy: -59.234
Base-Backbone interact. energy: -0.097
local terms energy: -60.841489
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -3.145
tors. eta vs tors. theta energy: -14.417
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: 2
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -210.893430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.893430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.895628 (E_RNA)
where:
Base-Base interactions energy: -149.872
where: short stacking energy: -61.837
Base-Backbone interact. energy: -0.004
local terms energy: -61.019369
where:
bonds (distance) C4'-P energy: -10.007
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -7.384
tors. eta vs tors. theta energy: -16.182
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: 8
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -219.694073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.694073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.767236 (E_RNA)
where:
Base-Base interactions energy: -163.486
where: short stacking energy: -60.673
Base-Backbone interact. energy: -0.087
local terms energy: -56.194332
where:
bonds (distance) C4'-P energy: -10.017
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -11.944
flat angles P-C4'-P energy: -5.251
tors. eta vs tors. theta energy: -15.898
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -201.887849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.887849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.149901 (E_RNA)
where:
Base-Base interactions energy: -143.592
where: short stacking energy: -59.221
Base-Backbone interact. energy: -0.007
local terms energy: -58.550862
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -10.180
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: -15.769
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: 7, replica: 7
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -201.534560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.534560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.534560 (E_RNA)
where:
Base-Base interactions energy: -144.388
where: short stacking energy: -55.007
Base-Backbone interact. energy: -0.005
local terms energy: -57.141811
where:
bonds (distance) C4'-P energy: -8.128
bonds (distance) P-C4' energy: -12.854
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -13.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -202.333029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.333029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.333029 (E_RNA)
where:
Base-Base interactions energy: -138.887
where: short stacking energy: -49.401
Base-Backbone interact. energy: -0.011
local terms energy: -63.434551
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -11.123
flat angles P-C4'-P energy: -9.599
tors. eta vs tors. theta energy: -16.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -182.482069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.482069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.679551 (E_RNA)
where:
Base-Base interactions energy: -135.164
where: short stacking energy: -56.873
Base-Backbone interact. energy: -0.614
local terms energy: -53.901200
where:
bonds (distance) C4'-P energy: -7.416
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -10.520
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -13.805
Dist. restrs. and SS energy: 7.197 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -194.300923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.300923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.396074 (E_RNA)
where:
Base-Base interactions energy: -136.787
where: short stacking energy: -58.339
Base-Backbone interact. energy: -0.838
local terms energy: -56.770821
where:
bonds (distance) C4'-P energy: -11.358
bonds (distance) P-C4' energy: -10.928
flat angles C4'-P-C4' energy: -9.578
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -14.661
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: 4
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -219.058740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.058740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.058740 (E_RNA)
where:
Base-Base interactions energy: -153.717
where: short stacking energy: -61.748
Base-Backbone interact. energy: 0.594
local terms energy: -65.935436
where:
bonds (distance) C4'-P energy: -10.939
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -15.491
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -220.527939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.527939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.599795 (E_RNA)
where:
Base-Base interactions energy: -149.413
where: short stacking energy: -63.990
Base-Backbone interact. energy: 0.402
local terms energy: -71.588859
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -17.369
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: 10
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -214.986569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.986569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.074083 (E_RNA)
where:
Base-Base interactions energy: -152.250
where: short stacking energy: -62.212
Base-Backbone interact. energy: -0.124
local terms energy: -62.700205
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -5.232
tors. eta vs tors. theta energy: -16.051
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: 8
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -218.764233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.764233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.835411 (E_RNA)
where:
Base-Base interactions energy: -163.829
where: short stacking energy: -64.496
Base-Backbone interact. energy: -0.090
local terms energy: -54.916287
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -2.915
tors. eta vs tors. theta energy: -14.273
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: 2
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -214.243730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.243730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.341385 (E_RNA)
where:
Base-Base interactions energy: -150.964
where: short stacking energy: -64.380
Base-Backbone interact. energy: -0.242
local terms energy: -63.135251
where:
bonds (distance) C4'-P energy: -10.017
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -15.529
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: 7
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -206.755205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.755205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.761597 (E_RNA)
where:
Base-Base interactions energy: -143.601
where: short stacking energy: -57.247
Base-Backbone interact. energy: -0.249
local terms energy: -62.911649
where:
bonds (distance) C4'-P energy: -11.953
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -13.931
Dist. restrs. and SS energy: 0.006 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -201.029389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.029389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.057725 (E_RNA)
where:
Base-Base interactions energy: -142.451
where: short stacking energy: -59.133
Base-Backbone interact. energy: -0.011
local terms energy: -58.595417
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -5.044
flat angles P-C4'-P energy: -9.176
tors. eta vs tors. theta energy: -17.121
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: 493
Temperature: 1.250000
Total energy: -192.367012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.367012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.460322 (E_RNA)
where:
Base-Base interactions energy: -137.208
where: short stacking energy: -49.320
Base-Backbone interact. energy: -0.020
local terms energy: -55.231888
where:
bonds (distance) C4'-P energy: -7.565
bonds (distance) P-C4' energy: -11.333
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -12.266
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: 5
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -179.890294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.890294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.233757 (E_RNA)
where:
Base-Base interactions energy: -130.271
where: short stacking energy: -55.408
Base-Backbone interact. energy: -0.403
local terms energy: -57.559784
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -11.907
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -4.182
tors. eta vs tors. theta energy: -14.833
Dist. restrs. and SS energy: 8.343 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -185.737939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.737939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.953742 (E_RNA)
where:
Base-Base interactions energy: -126.685
where: short stacking energy: -47.023
Base-Backbone interact. energy: -0.969
local terms energy: -58.300000
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -12.042
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -13.180
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: 1, replica: 3
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -224.519529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.519529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.549782 (E_RNA)
where:
Base-Base interactions energy: -157.397
where: short stacking energy: -65.775
Base-Backbone interact. energy: -0.284
local terms energy: -66.868400
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -15.315
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: 494
Temperature: 0.950000
Total energy: -218.322669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.322669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.335778 (E_RNA)
where:
Base-Base interactions energy: -148.073
where: short stacking energy: -64.583
Base-Backbone interact. energy: -0.000
local terms energy: -70.262411
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -16.401
Dist. restrs. and SS energy: 0.013 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -207.153234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.153234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.187851 (E_RNA)
where:
Base-Base interactions energy: -146.109
where: short stacking energy: -55.747
Base-Backbone interact. energy: -0.183
local terms energy: -60.895857
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -11.551
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -14.357
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: 10
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -214.777330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.777330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.075276 (E_RNA)
where:
Base-Base interactions energy: -152.977
where: short stacking energy: -57.787
Base-Backbone interact. energy: -0.441
local terms energy: -61.657257
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -4.437
tors. eta vs tors. theta energy: -15.364
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: 5, replica: 7
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -210.498472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.498472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.522422 (E_RNA)
where:
Base-Base interactions energy: -149.891
where: short stacking energy: -63.988
Base-Backbone interact. energy: -0.002
local terms energy: -60.628941
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -4.402
tors. eta vs tors. theta energy: -16.461
Dist. restrs. and SS energy: 0.024 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -217.467964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.467964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.504391 (E_RNA)
where:
Base-Base interactions energy: -156.637
where: short stacking energy: -61.583
Base-Backbone interact. energy: -0.001
local terms energy: -60.866513
where:
bonds (distance) C4'-P energy: -14.363
bonds (distance) P-C4' energy: -12.901
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -3.931
tors. eta vs tors. theta energy: -15.823
Dist. restrs. and SS energy: 0.036 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -202.005216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.005216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.024629 (E_RNA)
where:
Base-Base interactions energy: -142.172
where: short stacking energy: -53.456
Base-Backbone interact. energy: -0.124
local terms energy: -59.728163
where:
bonds (distance) C4'-P energy: -10.728
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -9.623
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -13.227
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: 1
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -201.711736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.711736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.964943 (E_RNA)
where:
Base-Base interactions energy: -136.812
where: short stacking energy: -54.906
Base-Backbone interact. energy: -0.047
local terms energy: -65.105109
where:
bonds (distance) C4'-P energy: -10.829
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -15.916
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: 9, replica: 9
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -196.811144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.811144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.940024 (E_RNA)
where:
Base-Base interactions energy: -130.531
where: short stacking energy: -49.944
Base-Backbone interact. energy: -0.629
local terms energy: -65.780263
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -10.078
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -15.155
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: 10, replica: 5
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -168.535228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.535228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.813669 (E_RNA)
where:
Base-Base interactions energy: -128.201
where: short stacking energy: -54.621
Base-Backbone interact. energy: 0.976
local terms energy: -50.588813
where:
bonds (distance) C4'-P energy: -4.473
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -5.932
tors. eta vs tors. theta energy: -15.166
Dist. restrs. and SS energy: 9.278 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -216.012579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.012579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.012579 (E_RNA)
where:
Base-Base interactions energy: -151.255
where: short stacking energy: -56.863
Base-Backbone interact. energy: -0.082
local terms energy: -64.675849
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -13.883
flat angles C4'-P-C4' energy: -13.974
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -12.530
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -225.751601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.751601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.800836 (E_RNA)
where:
Base-Base interactions energy: -155.460
where: short stacking energy: -68.121
Base-Backbone interact. energy: -0.000
local terms energy: -70.341171
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -16.800
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: 8
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -219.544470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.544470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.564781 (E_RNA)
where:
Base-Base interactions energy: -156.449
where: short stacking energy: -61.034
Base-Backbone interact. energy: -0.040
local terms energy: -63.075920
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -11.400
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -16.192
Dist. restrs. and SS energy: 0.020 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -212.353822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.353822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.353822 (E_RNA)
where:
Base-Base interactions energy: -156.067
where: short stacking energy: -59.477
Base-Backbone interact. energy: -0.317
local terms energy: -55.969316
where:
bonds (distance) C4'-P energy: -9.449
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -10.954
flat angles P-C4'-P energy: -6.632
tors. eta vs tors. theta energy: -14.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -213.610274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.610274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.635215 (E_RNA)
where:
Base-Base interactions energy: -144.696
where: short stacking energy: -56.500
Base-Backbone interact. energy: -0.174
local terms energy: -68.765891
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -16.176
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: 495
Temperature: 1.150000
Total energy: -207.871201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.871201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.981708 (E_RNA)
where:
Base-Base interactions energy: -144.279
where: short stacking energy: -62.349
Base-Backbone interact. energy: -0.381
local terms energy: -63.320978
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -10.731
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -15.684
Dist. restrs. and SS energy: 0.111 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -202.879640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.879640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.958274 (E_RNA)
where:
Base-Base interactions energy: -138.063
where: short stacking energy: -58.130
Base-Backbone interact. energy: -0.006
local terms energy: -64.888991
where:
bonds (distance) C4'-P energy: -10.559
bonds (distance) P-C4' energy: -13.736
flat angles C4'-P-C4' energy: -12.186
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -16.639
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: 495
Temperature: 1.250000
Total energy: -204.320398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.320398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.360728 (E_RNA)
where:
Base-Base interactions energy: -145.326
where: short stacking energy: -58.453
Base-Backbone interact. energy: -0.240
local terms energy: -58.794623
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -12.624
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -12.484
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: 495
Temperature: 1.300000
Total energy: -197.737154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.737154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.823293 (E_RNA)
where:
Base-Base interactions energy: -136.055
where: short stacking energy: -55.126
Base-Backbone interact. energy: -0.006
local terms energy: -61.761932
where:
bonds (distance) C4'-P energy: -11.498
bonds (distance) P-C4' energy: -12.219
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -11.550
tors. eta vs tors. theta energy: -13.122
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: 5
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -170.255150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.255150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.163406 (E_RNA)
where:
Base-Base interactions energy: -122.280
where: short stacking energy: -54.888
Base-Backbone interact. energy: 0.121
local terms energy: -56.004509
where:
bonds (distance) C4'-P energy: -6.870
bonds (distance) P-C4' energy: -11.705
flat angles C4'-P-C4' energy: -11.405
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -16.856
Dist. restrs. and SS energy: 7.908 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -221.473059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.473059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.505575 (E_RNA)
where:
Base-Base interactions energy: -153.495
where: short stacking energy: -63.982
Base-Backbone interact. energy: -0.001
local terms energy: -68.009531
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: -15.052
Dist. restrs. and SS energy: 0.033 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -217.793375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.793375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.811009 (E_RNA)
where:
Base-Base interactions energy: -151.707
where: short stacking energy: -62.607
Base-Backbone interact. energy: -0.000
local terms energy: -66.103835
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -13.125
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -16.364
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -224.758856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.758856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.762599 (E_RNA)
where:
Base-Base interactions energy: -154.912
where: short stacking energy: -63.191
Base-Backbone interact. energy: -0.001
local terms energy: -69.850222
where:
bonds (distance) C4'-P energy: -13.700
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -19.969
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: 8
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -212.859751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.859751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.996743 (E_RNA)
where:
Base-Base interactions energy: -152.431
where: short stacking energy: -58.099
Base-Backbone interact. energy: -0.058
local terms energy: -60.506896
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -12.861
flat angles P-C4'-P energy: -8.729
tors. eta vs tors. theta energy: -14.102
Dist. restrs. and SS energy: 0.137 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -208.941642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.941642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.963703 (E_RNA)
where:
Base-Base interactions energy: -149.228
where: short stacking energy: -60.140
Base-Backbone interact. energy: -0.077
local terms energy: -59.658696
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -9.134
flat angles P-C4'-P energy: -7.794
tors. eta vs tors. theta energy: -14.242
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: 496
Temperature: 1.150000
Total energy: -208.627032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.627032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.718285 (E_RNA)
where:
Base-Base interactions energy: -155.817
where: short stacking energy: -61.799
Base-Backbone interact. energy: -0.000
local terms energy: -52.901410
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -9.710
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: 0.174
tors. eta vs tors. theta energy: -16.422
Dist. restrs. and SS energy: 0.091 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -204.235957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.235957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.333828 (E_RNA)
where:
Base-Base interactions energy: -140.524
where: short stacking energy: -54.074
Base-Backbone interact. energy: -0.118
local terms energy: -63.691057
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -13.354
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -15.152
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: 2
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -201.659842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.659842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.889975 (E_RNA)
where:
Base-Base interactions energy: -137.168
where: short stacking energy: -53.820
Base-Backbone interact. energy: -0.094
local terms energy: -64.627212
where:
bonds (distance) C4'-P energy: -10.013
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -16.300
Dist. restrs. and SS energy: 0.230 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -194.991987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.991987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.035960 (E_RNA)
where:
Base-Base interactions energy: -141.871
where: short stacking energy: -57.027
Base-Backbone interact. energy: -0.173
local terms energy: -52.991602
where:
bonds (distance) C4'-P energy: -1.973
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -14.114
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: 5
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -176.334871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.334871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.383451 (E_RNA)
where:
Base-Base interactions energy: -120.902
where: short stacking energy: -48.062
Base-Backbone interact. energy: -0.215
local terms energy: -61.266830
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -11.167
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: -15.051
Dist. restrs. and SS energy: 6.049 (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: 4
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -224.199862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.199862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.247271 (E_RNA)
where:
Base-Base interactions energy: -164.135
where: short stacking energy: -69.202
Base-Backbone interact. energy: -0.157
local terms energy: -59.955503
where:
bonds (distance) C4'-P energy: -12.172
bonds (distance) P-C4' energy: -10.851
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -13.049
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: 7
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -221.657908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.657908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.801863 (E_RNA)
where:
Base-Base interactions energy: -163.107
where: short stacking energy: -66.562
Base-Backbone interact. energy: -0.002
local terms energy: -58.693025
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -12.523
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -5.383
tors. eta vs tors. theta energy: -13.943
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: 3
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -215.245636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.245636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.357961 (E_RNA)
where:
Base-Base interactions energy: -151.561
where: short stacking energy: -59.233
Base-Backbone interact. energy: -0.006
local terms energy: -63.790936
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -7.312
tors. eta vs tors. theta energy: -16.315
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: 6
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -205.022397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.022397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.152321 (E_RNA)
where:
Base-Base interactions energy: -140.746
where: short stacking energy: -58.841
Base-Backbone interact. energy: -0.147
local terms energy: -64.258821
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -5.434
tors. eta vs tors. theta energy: -19.020
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: 8
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -206.428436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.428436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.498989 (E_RNA)
where:
Base-Base interactions energy: -143.266
where: short stacking energy: -57.508
Base-Backbone interact. energy: -0.405
local terms energy: -62.827156
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -14.387
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: 10
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -206.177152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.177152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.214728 (E_RNA)
where:
Base-Base interactions energy: -150.200
where: short stacking energy: -63.484
Base-Backbone interact. energy: -0.025
local terms energy: -55.989531
where:
bonds (distance) C4'-P energy: -10.430
bonds (distance) P-C4' energy: -9.702
flat angles C4'-P-C4' energy: -9.889
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -16.402
Dist. restrs. and SS energy: 0.038 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -222.144772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.144772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.190228 (E_RNA)
where:
Base-Base interactions energy: -164.974
where: short stacking energy: -66.166
Base-Backbone interact. energy: -0.617
local terms energy: -56.599652
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -9.715
flat angles C4'-P-C4' energy: -11.067
flat angles P-C4'-P energy: -5.082
tors. eta vs tors. theta energy: -17.315
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: 1
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -193.383042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.383042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.507507 (E_RNA)
where:
Base-Base interactions energy: -138.329
where: short stacking energy: -53.460
Base-Backbone interact. energy: -0.007
local terms energy: -55.171268
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -10.384
flat angles C4'-P-C4' energy: -10.217
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -14.441
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: 2
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -195.847198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.847198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.865327 (E_RNA)
where:
Base-Base interactions energy: -139.154
where: short stacking energy: -56.885
Base-Backbone interact. energy: -0.122
local terms energy: -56.588909
where:
bonds (distance) C4'-P energy: -9.212
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -12.392
flat angles P-C4'-P energy: -6.012
tors. eta vs tors. theta energy: -15.609
Dist. restrs. and SS energy: 0.018 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -173.136025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.136025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.471884 (E_RNA)
where:
Base-Base interactions energy: -127.592
where: short stacking energy: -50.167
Base-Backbone interact. energy: -0.003
local terms energy: -51.876959
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -11.168
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -7.231
tors. eta vs tors. theta energy: -8.340
Dist. restrs. and SS energy: 6.336 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -226.752837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.752837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.874535 (E_RNA)
where:
Base-Base interactions energy: -166.034
where: short stacking energy: -63.620
Base-Backbone interact. energy: -0.049
local terms energy: -60.791793
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -6.459
tors. eta vs tors. theta energy: -16.624
Dist. restrs. and SS energy: 0.122 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -220.697942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.697942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.719535 (E_RNA)
where:
Base-Base interactions energy: -159.116
where: short stacking energy: -61.809
Base-Backbone interact. energy: -0.003
local terms energy: -61.600290
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -12.765
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -4.232
tors. eta vs tors. theta energy: -18.443
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: 498
Temperature: 1.000000
Total energy: -230.415722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.415722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.523981 (E_RNA)
where:
Base-Base interactions energy: -164.857
where: short stacking energy: -66.690
Base-Backbone interact. energy: -0.238
local terms energy: -65.429106
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -12.156
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -14.586
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: 3
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -209.223295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.223295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.246056 (E_RNA)
where:
Base-Base interactions energy: -144.737
where: short stacking energy: -57.082
Base-Backbone interact. energy: -0.014
local terms energy: -64.494999
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -11.045
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -17.706
Dist. restrs. and SS energy: 0.023 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -212.823598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.823598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.945672 (E_RNA)
where:
Base-Base interactions energy: -147.934
where: short stacking energy: -63.091
Base-Backbone interact. energy: -0.292
local terms energy: -64.719547
where:
bonds (distance) C4'-P energy: -9.400
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -11.777
tors. eta vs tors. theta energy: -18.316
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: 8
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -201.863499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.863499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.863499 (E_RNA)
where:
Base-Base interactions energy: -141.026
where: short stacking energy: -55.057
Base-Backbone interact. energy: -0.081
local terms energy: -60.756371
where:
bonds (distance) C4'-P energy: -13.490
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -11.636
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -13.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -206.302193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.302193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.321447 (E_RNA)
where:
Base-Base interactions energy: -162.177
where: short stacking energy: -64.324
Base-Backbone interact. energy: -0.297
local terms energy: -43.847810
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -4.462
flat angles C4'-P-C4' energy: -11.446
flat angles P-C4'-P energy: -3.352
tors. eta vs tors. theta energy: -14.426
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: 1
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -195.090802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.090802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.156142 (E_RNA)
where:
Base-Base interactions energy: -139.768
where: short stacking energy: -52.603
Base-Backbone interact. energy: -0.743
local terms energy: -54.645156
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -6.179
flat angles P-C4'-P energy: -7.077
tors. eta vs tors. theta energy: -14.756
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: 5
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -186.102454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.102454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.778779 (E_RNA)
where:
Base-Base interactions energy: -140.188
where: short stacking energy: -56.315
Base-Backbone interact. energy: -0.347
local terms energy: -53.243632
where:
bonds (distance) C4'-P energy: -10.427
bonds (distance) P-C4' energy: -10.622
flat angles C4'-P-C4' energy: -11.185
flat angles P-C4'-P energy: -7.140
tors. eta vs tors. theta energy: -13.870
Dist. restrs. and SS energy: 7.676 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -191.128864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.128864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.265850 (E_RNA)
where:
Base-Base interactions energy: -138.984
where: short stacking energy: -55.781
Base-Backbone interact. energy: -0.001
local terms energy: -52.281663
where:
bonds (distance) C4'-P energy: -9.996
bonds (distance) P-C4' energy: -10.451
flat angles C4'-P-C4' energy: -15.028
flat angles P-C4'-P energy: -0.510
tors. eta vs tors. theta energy: -16.296
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)
out arg RESULTS//1/cargo-63a53b79_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 7
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -215.991926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.991926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.010174 (E_RNA)
where:
Base-Base interactions energy: -149.977
where: short stacking energy: -62.625
Base-Backbone interact. energy: 0.164
local terms energy: -66.197057
where:
bonds (distance) C4'-P energy: -9.540
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -17.660
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: 499
Temperature: 0.950000
Total energy: -216.815629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.815629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.912680 (E_RNA)
where:
Base-Base interactions energy: -143.097
where: short stacking energy: -59.477
Base-Backbone interact. energy: -1.424
local terms energy: -72.391544
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -19.542
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: 6
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -218.318434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.318434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.333421 (E_RNA)
where:
Base-Base interactions energy: -157.599
where: short stacking energy: -60.716
Base-Backbone interact. energy: -0.001
local terms energy: -60.733437
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -6.687
tors. eta vs tors. theta energy: -12.887
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: 10
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -206.882016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.882016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.884981 (E_RNA)
where:
Base-Base interactions energy: -142.191
where: short stacking energy: -60.831
Base-Backbone interact. energy: 0.530
local terms energy: -65.224129
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -12.678
Dist. restrs. and SS energy: 0.003 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -206.700584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.700584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.728415 (E_RNA)
where:
Base-Base interactions energy: -148.007
where: short stacking energy: -59.808
Base-Backbone interact. energy: -0.111
local terms energy: -58.610253
where:
bonds (distance) C4'-P energy: -8.974
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -15.945
Dist. restrs. and SS energy: 0.028 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -200.872438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.872438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.901817 (E_RNA)
where:
Base-Base interactions energy: -142.378
where: short stacking energy: -61.031
Base-Backbone interact. energy: -0.081
local terms energy: -58.442669
where:
bonds (distance) C4'-P energy: -8.881
bonds (distance) P-C4' energy: -9.614
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -14.034
Dist. restrs. and SS energy: 0.029 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -201.230668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.230668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.282248 (E_RNA)
where:
Base-Base interactions energy: -143.854
where: short stacking energy: -59.653
Base-Backbone interact. energy: -0.023
local terms energy: -57.404763
where:
bonds (distance) C4'-P energy: -8.203
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -5.711
tors. eta vs tors. theta energy: -16.500
Dist. restrs. and SS energy: 0.052 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -177.468728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.468728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.476471 (E_RNA)
where:
Base-Base interactions energy: -125.475
where: short stacking energy: -52.063
Base-Backbone interact. energy: -0.272
local terms energy: -59.729371
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -12.129
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: -13.147
Dist. restrs. and SS energy: 8.008 (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: 1
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -192.581533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.581533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.631305 (E_RNA)
where:
Base-Base interactions energy: -132.084
where: short stacking energy: -54.584
Base-Backbone interact. energy: -0.284
local terms energy: -60.262666
where:
bonds (distance) C4'-P energy: -9.730
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -7.773
tors. eta vs tors. theta energy: -15.084
Dist. restrs. and SS energy: 0.050 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -188.457717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.457717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.710590 (E_RNA)
where:
Base-Base interactions energy: -136.897
where: short stacking energy: -59.212
Base-Backbone interact. energy: -0.006
local terms energy: -51.807467
where:
bonds (distance) C4'-P energy: -4.498
bonds (distance) P-C4' energy: -11.861
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -12.849
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 4
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -219.080266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.080266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.102726 (E_RNA)
where:
Base-Base interactions energy: -152.192
where: short stacking energy: -64.576
Base-Backbone interact. energy: -0.305
local terms energy: -66.605787
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: -18.361
Dist. restrs. and SS energy: 0.022 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -215.728905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.728905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.908251 (E_RNA)
where:
Base-Base interactions energy: -142.982
where: short stacking energy: -61.491
Base-Backbone interact. energy: -0.074
local terms energy: -72.852624
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -16.147
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: 10
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -218.345302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.345302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.393408 (E_RNA)
where:
Base-Base interactions energy: -146.547
where: short stacking energy: -62.835
Base-Backbone interact. energy: -0.001
local terms energy: -71.845057
where:
bonds (distance) C4'-P energy: -12.342
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -18.556
Dist. restrs. and SS energy: 0.048 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -214.169228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.169228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.169228 (E_RNA)
where:
Base-Base interactions energy: -149.218
where: short stacking energy: -65.351
Base-Backbone interact. energy: 0.860
local terms energy: -65.810925
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -10.561
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -18.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -208.823643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.823643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.911464 (E_RNA)
where:
Base-Base interactions energy: -157.230
where: short stacking energy: -61.716
Base-Backbone interact. energy: -0.140
local terms energy: -51.541320
where:
bonds (distance) C4'-P energy: -7.590
bonds (distance) P-C4' energy: -13.649
flat angles C4'-P-C4' energy: -9.361
flat angles P-C4'-P energy: -5.216
tors. eta vs tors. theta energy: -15.726
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: 500
Temperature: 1.150000
Total energy: -202.978719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.978719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.169558 (E_RNA)
where:
Base-Base interactions energy: -143.054
where: short stacking energy: -56.444
Base-Backbone interact. energy: -0.155
local terms energy: -59.960498
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -11.635
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -12.387
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: 5
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -199.947487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.947487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.048639 (E_RNA)
where:
Base-Base interactions energy: -140.615
where: short stacking energy: -56.275
Base-Backbone interact. energy: -0.215
local terms energy: -67.218884
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -12.277
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -17.856
Dist. restrs. and SS energy: 8.101 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -198.034254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.034254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.035050 (E_RNA)
where:
Base-Base interactions energy: -139.548
where: short stacking energy: -55.220
Base-Backbone interact. energy: 2.177
local terms energy: -60.664520
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -10.905
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -14.247
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: 2
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -191.755380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.755380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.755380 (E_RNA)
where:
Base-Base interactions energy: -130.668
where: short stacking energy: -48.586
Base-Backbone interact. energy: -0.002
local terms energy: -61.085158
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -10.206
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -14.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -194.850853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.850853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.072374 (E_RNA)
where:
Base-Base interactions energy: -145.044
where: short stacking energy: -52.415
Base-Backbone interact. energy: -0.226
local terms energy: -49.803120
where:
bonds (distance) C4'-P energy: -9.913
bonds (distance) P-C4' energy: -10.884
flat angles C4'-P-C4' energy: -8.930
flat angles P-C4'-P energy: -6.139
tors. eta vs tors. theta energy: -13.936
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 4
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -219.764392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.764392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.820897 (E_RNA)
where:
Base-Base interactions energy: -151.680
where: short stacking energy: -62.110
Base-Backbone interact. energy: -0.066
local terms energy: -68.074613
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -17.104
Dist. restrs. and SS energy: 0.057 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -217.972191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.972191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.979049 (E_RNA)
where:
Base-Base interactions energy: -151.096
where: short stacking energy: -66.668
Base-Backbone interact. energy: -0.006
local terms energy: -66.877441
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -12.068
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -18.441
Dist. restrs. and SS energy: 0.007 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -227.524982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.524982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.771422 (E_RNA)
where:
Base-Base interactions energy: -167.662
where: short stacking energy: -69.982
Base-Backbone interact. energy: -0.157
local terms energy: -59.952332
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -4.336
tors. eta vs tors. theta energy: -16.283
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: 6
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -217.344367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.344367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.417420 (E_RNA)
where:
Base-Base interactions energy: -164.950
where: short stacking energy: -68.916
Base-Backbone interact. energy: -0.091
local terms energy: -52.376493
where:
bonds (distance) C4'-P energy: -9.816
bonds (distance) P-C4' energy: -10.036
flat angles C4'-P-C4' energy: -12.336
flat angles P-C4'-P energy: -4.412
tors. eta vs tors. theta energy: -15.776
Dist. restrs. and SS energy: 0.073 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -207.101400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.101400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.101400 (E_RNA)
where:
Base-Base interactions energy: -143.624
where: short stacking energy: -56.849
Base-Backbone interact. energy: -0.206
local terms energy: -63.271566
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -6.546
tors. eta vs tors. theta energy: -14.805
Dist. restrs. and SS energy: -0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -204.144417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.144417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.145134 (E_RNA)
where:
Base-Base interactions energy: -148.364
where: short stacking energy: -67.543
Base-Backbone interact. energy: -0.030
local terms energy: -63.751368
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -14.535
flat angles C4'-P-C4' energy: -12.359
flat angles P-C4'-P energy: -6.389
tors. eta vs tors. theta energy: -18.602
Dist. restrs. and SS energy: 8.001 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -203.474264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.474264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.516585 (E_RNA)
where:
Base-Base interactions energy: -146.197
where: short stacking energy: -61.124
Base-Backbone interact. energy: -0.084
local terms energy: -57.235630
where:
bonds (distance) C4'-P energy: -9.258
bonds (distance) P-C4' energy: -11.109
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -15.120
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: 8
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -199.906779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.906779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.906779 (E_RNA)
where:
Base-Base interactions energy: -140.538
where: short stacking energy: -52.406
Base-Backbone interact. energy: -0.057
local terms energy: -59.312184
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -12.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -202.583370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.583370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.605083 (E_RNA)
where:
Base-Base interactions energy: -148.321
where: short stacking energy: -53.392
Base-Backbone interact. energy: -0.001
local terms energy: -54.283188
where:
bonds (distance) C4'-P energy: -11.131
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -11.189
flat angles P-C4'-P energy: -2.525
tors. eta vs tors. theta energy: -14.092
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: 1
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -192.012965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.012965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.190000 (E_RNA)
where:
Base-Base interactions energy: -138.136
where: short stacking energy: -46.698
Base-Backbone interact. energy: -0.014
local terms energy: -54.039547
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -12.303
flat angles P-C4'-P energy: -6.063
tors. eta vs tors. theta energy: -11.080
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)
replica 10 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 9374996
moves confirmed later: 10918182
all moves confirmed: 20293178
percent of confirmed moves: 2.536647
current total energy: -195.327881
recalc. total energy: -195.327881
replica 4 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 10662180
moves confirmed later: 12390852
all moves confirmed: 23053032
percent of confirmed moves: 2.881629
current total energy: -180.007212
recalc. total energy: -180.007212
replica 6 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 9523948
moves confirmed later: 11107282
all moves confirmed: 20631230
percent of confirmed moves: 2.578904
current total energy: -186.652004
recalc. total energy: -186.652004
replica 7 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 9581059
moves confirmed later: 11202347
all moves confirmed: 20783406
percent of confirmed moves: 2.597926
current total energy: -204.975950
recalc. total energy: -204.975950
replica 5 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 11330332
moves confirmed later: 13161133
all moves confirmed: 24491465
percent of confirmed moves: 3.061433
current total energy: -151.386153
recalc. total energy: -151.386153
replica 9 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 9943937
moves confirmed later: 11719824
all moves confirmed: 21663761
percent of confirmed moves: 2.707970
current total energy: -178.317922
recalc. total energy: -178.317922
replica 8 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 9496635
moves confirmed later: 11104878
all moves confirmed: 20601513
percent of confirmed moves: 2.575189
current total energy: -159.223774
recalc. total energy: -159.223774
replica 3 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 9631675
moves confirmed later: 11321567
all moves confirmed: 20953242
percent of confirmed moves: 2.619155
current total energy: -178.494547
recalc. total energy: -178.494547
replica 1 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 9592073
moves confirmed later: 11250991
all moves confirmed: 20843064
percent of confirmed moves: 2.605383
current total energy: -158.816510
recalc. total energy: -158.816510
replica 2 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 9524563
moves confirmed later: 11135440
all moves confirmed: 20660003
percent of confirmed moves: 2.582500
current total energy: -147.249081
recalc. total energy: -147.249081
Time of doing 8000000 iterations: 2716.344 seconds