Why do we need to neutralize the charge of the system by adding ions before we proceed to energy minimization step in GROMACS ?

I am learning MD simulations using GROMACS and while I was doing a protein in water MD simulation a doubt raised. I was following the steps mentioned on the tutorials page and it said The system...

15 February 2021 5,514 4 View

Divergence detected in AMG solver for temperature and species , DEFINE_VR_RATE, Fluent ?

In 2D Model, Reaction in porous Zone, Error occurs on hooking UDF , DEFINE_VR_RATE in Fluent, .The error spikes just after running calculation after 1st iteration. Divergence detected in AMG...

16 November 2020 9,053 3 View

How to verify if a measuring system is working right?

We have 2 machines that test products. Both of these qualify the product to be Good or Bad ( Based on amount of leak ). The final outcome is attribute variable (Good/ Bad) whereas the way we...

16 November 2020 688 7 View

How to create a surface plot and contour? If i have an excel file with X, Y ,Z values of the surface ( Periphery of a tube) and Q (heat flux) value.?

Need to create 3d surface plot. Data I have X, Y ,Z coordinate of the pipe surface and the corresponding Q (heat flux) values at that point. Nearly 222440 data points of a 2m length pipe. Thank you

07 October 2020 9,854 7 View

Initialization in Fluent? Hybrid initialization or Standard initialization ?

Looking towards an incompressible flow (with K-e, turbulence model), with mass flow/velocity inlet and Pressure outlet boundary condition. Which initialization method preferred? How far it can...

05 October 2020 4,742 5 View

Why did it take humanity so long to start writing though we have been speaking for tens of thousands of years ?

They say we were just speaking and not writing anything for tens of thousands of years till a basic form of writing evolved just about ten thousand years back. Why this yawning gap ?

22 September 2020 5,313 7 View

Which is the best software to simulate chemistry of materials in correlation with their mechanical properties ?

ANSYS or ABAQUS donot correlate materials chemistry wirh the observed or simulated mechanical properties. Is there a software that can do this structure to property correlation. ?

22 September 2020 1,171 3 View

Is there any cost-effective, simple and efficient way to analyse and estimate the amount of vitamins in algal samples?

I am currently pursuing my research in Phycology. I'd like to know if there's any simple and cost-effective method to detect and analyze nutrients and vitamins in the algal matter. The experiment...

18 September 2020 4,081 3 View

Which research institutes in India have an algal identification facility?

I am currently pursuing my research in Phycology and planning to conduct a study on microalgae. Is there any place where I can send my samples to be identified? (Preferably in South India) Also,...

17 September 2020 4,440 2 View

How is the co-expressed genes regulatory network plotted? Is there any Bioinformatics tool for the same?

Hi, I am working on molecular validation of co-expressed genes in Rice under moisture stress. I have a list of genes that are co-expressed in three rice varieties, under a particular set of...

12 July 2020 7,494 1 View

I need to image mesoporous silica nanoparticles that are in ~100 nm size and do high resolution TEM to look at mesopores. what grids should I use?

Need to image mesoporous silica nanoparticles using the TEM. Also, need high resolution TEM images to see the mesoporous structure. Kindly suggest what kind of grids to use. Thanks, Shatadru

02 March 2021 1,787 2 View

What pH condition required to coat APTES on silica coated Fe3O4?

It's a hydrolysis reaction, which may produce by either acid or base-catalyzed reaction. so can anybody help me with this, which condition is suitable for this reaction?

26 February 2021 1,760 8 View

My silica gel column dried can I somehoe save the trapped matter?

I tried to separate my substance from a protein in a sillica gel column. By mistake, it dried and cracked. Can I save the trapped substance? Can I repack it ,or at least elute all of the trapped...

22 February 2021 1,789 3 View

Amorphous silica XRD peak at around 10 degree?

21 February 2021 3,417 5 View

Reaction condition to convert NH2 to COOH?

I need to couple Dopamine by NH2 end to silica nanoparticles coated by PEG-NH2, but first i need to convert the PEG-NH2 to COOH by using succinic anhydrous ... can you suggest a reaction condition ?

13 February 2021 2,768 4 View

Extraction of DNA from insect samples conserved in silica gel?

Hi everybody, can anybody suggest how to extract DNA from insect samples conserved in silica gel (in my case, mosquitoes)? Does anybody know a commericial kit which does that or a particular...

10 February 2021 3,392 4 View

What is the type or grade of ethanol used in SOL-GEL?

I'm preparing materials that will be use in SOL-GEL to produce silica gel, I will use Tetraethyl orthosilicate (TEOS) as precursor, and ethanol as solvent , but when I search to buy ethanol, the...

01 February 2021 5,153 4 View

What is the most efficient way to generate amorphous silica in LAMMPS?

I would like to generate multiple large samples of amorphous silica in LAMMPS. Currently I am generating it by beginning with a lattice of silicon and oxygen atoms and using a melting and...

28 January 2021 6,128 4 View

What makes yellow color appear in phosphorus sample after autoclave digestion?

I was using autoclave for digesting water samples for Total phosphorus measurement with ascorbic acid method. The autoclave was set to perform 2 hours digestion and around 121 Celsius degrees. I...

25 January 2021 206 3 View

How best can one separate n-hexane-soluble fraction of plant extract that binds strongly to silica gel columns and what are the possible compounds?

I wanted to elute n-hexane-soluble fraction of a plant extract in a silica gel column using different proportions of dichloromethane/n-hexane. The bands separated visibly initially but moved only...

18 January 2021 9,270 3 View