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

Polymer composites suddenly solidifies?

I am making polymer composite by solvent mixing method. When I am trying to add filler solution in polymer solution it quickly get solidified. How to make them then uinform? It doesn't give time...

03 March 2021 7,540 4 View

What solvent can I used for Paal Knorr reaction between 6-amino hexanoic acid and 2.5 hexanedione?

I am try to make the Paal Knorr reaction between 2.5 hexnedione and 6-amino hexanoic acid, my problem is type of solvent to use, because 6-hexaminohexanoic acid is soluble in water but I am not...

02 March 2021 4,443 2 View

Gel electrophoresis result for total RNA samples, 1.5 Agarose gel was used, How to improve the integrity of RNA?

Gel electrophoresis, RNA degradation, RNA extraction from fresh tissue

02 March 2021 5,433 5 View

How to polymerize TEOS?

I want to polymerize TEOS on a surface. I know that NH4OH is a preferred catalyst and an alcoholic solvent should be used .But I can not find certain amounts of each material to use. Does any one...

02 March 2021 1,404 6 View

How can extract ciprofloxacin hydrochloride disolve in water er to organic solvent such as dichloromethan or any other solvent?

I need a procedure to extract the ciprofloxacin hydrochloride from aqueous solution by using dichloromethane in detail,. I thank you very much.

01 March 2021 4,306 1 View

How to separate water from glycerol solvent in a solvent recovery vacuum distillation column?

I am currently doing my third year design project. I have been assigned to design a glycerol recovery column in vinyl acetate monomer production. The process unit before the recovery column is an...

01 March 2021 9,525 4 View

How to make fractions of chloroform extract of plant, using seperating funnel?

28 February 2021 8,466 2 View

Why am i not getting solid after reacting APTES with salicylaldehyde?

The reaction of APTES with salicylaldehyde in ethanol leads to the formation of imine compound yellow solid which is mention in literature, but I am not getting yellow solid I don't know why? when...

28 February 2021 2,955 2 View

can I treat waste water containing solvents and alcohol with electrocoagulation?

there are solvents and alcohol in the waste water of a factory that produces disinfectants. Increasing this waste water requires very serious operations. Can I treat this waste water with...

27 February 2021 2,609 3 View

How to replicate the well conditions of a crystal hit with 20%(w/v) isopropanol?

I had a crystal hit in a well with 0.1M HEPEs pH 7.5, 10%(w/v) PEG 4000, and 20%(w/v) isopropanol. Why is isopropanol in w/v here if it's just solvent? How do I recreate this well condition?

25 February 2021 9,761 1 View