Does COMSOL and Lumerical use GPU for processing?

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Not able to give GAFF forcefield to my ligand?

I have been able to assign the CHARMM forcefield to my ligand i.e. acetyl coenzyme A but not the amber forcefield. I want to run amber forcefield and the parameterization of ligand is failing. I...

15 July 2024 7,323 1 View

While doing docking using Autodock1.5.7, I am getting a warning that there are non integral charges on my ligand. How to remove it?

I used Autodock for docking, due to the non integral charges on my ligand I am not able to dock with the protein. How to dock the file?

08 June 2024 5,593 2 View

How to decide which parameter file should be used for particular calculation for tinker?

I am new to the tinker molecular dynamics software. I want to use it for conformation analysis for organic molecules (say penta-alanine). This can be done by SCAN keyword. There manual does not...

31 March 2024 9,274 0 View

Investigation on structural, hysteresis, Mössbauer properties and electrical parameters in X-type Ba2Co2ErxFe28-xO46 hexaferrites?

Conducted an extensive study on hexaferrites, substituting Erbium into X-type Ba2Co2ErxFe28-xO46 through a precise heat treatment process. XRD analysis highlighted phase variations, showcasing...

16 November 2023 2,147 2 View

How do I report a security concern?

Someone is trying to create a new account using my email. An activation request was forwarded to me to activate the email account severally earlier, and even today by 08:06am.

30 July 2023 9,835 0 View

I'm facing problem in NO determination using Griess reagent of SRL ?

for standard i have prepared 10 mM stock and diluted (10 -1200 micromolar) added SRL Griess reagent placed 15 min incubation in dark in to various concentration for the standard graph preparation...

28 May 2023 586 0 View

What is the equivalent of a 2 hour 100,000g spin on a 48,000g centrifuge?

Hello, I just graduated from college and am conducting immunology research. I am following a protocol that isolates extracellular vesicles which asks for an ultra-centrifugation step at 100,000g...

26 February 2023 8,945 2 View

How we can apply six sigma in casting foudry industries ?

Impemtation of six sigma is very complex in casting process as we have to control so many parameters to reduce rejection. I want to discuss about this if some have any resarch or case study about it.

13 February 2023 315 4 View

How to expand electron density in spherical harmonic basis fucntion?

I want to calculate PECD spectra and in order to do so I require calculated electron density in terms of symmetry adopted spherical harmonic basis functions. How should I do that?

30 January 2023 653 3 View

How to add new functions (say B-spline) in a basis set?

I want to calculate photoelectron circular dichroism (PECD) using DFT and one approach (B-spline LCAO density functional theory (DFT))is to modify the current basis set by adding B-spline...

22 January 2023 10,004 0 View

Simulation of metal drawing by Abaqus with UMAT?

Hello, colleagues. Recently, I have been working on a metal processing simulation with my UMAT in Abaqus. I have outlined the corresponding simulation, but I keep encountering issues that cause...

30 July 2024 7,062 1 View

Does post-translational protein modification cause devisions on observed pI verses calculated pI?

In running two-dimensional gel electrophoresis on bacterial protein, some spots that appear to match a protein sequence have a significantly more acidic isoelectric point than the calculated pI....

24 July 2024 8,076 3 View

Can a shoot-through event of a tri-state digital buffer cause momentary Hi-Z state?

// interested in the difference between floating events and short circuits.

22 July 2024 6,565 0 View

Trial exclusion in eye-tracking data?

Is it reasonable to exclude all trials with a blink or saccade in the 150 ms before stimulus onset? As an alternative, would it be better to exclude blinks (after extending them by about 100 ms...

19 July 2024 3,838 0 View

What are the future implications of quantum computing on image processing algorithms?

Image Processing Algorithms, Quantum Computing.

17 July 2024 7,958 2 View

Given the current advances in Super Computation and Quantum Computing, what are the missing link between the Applied AI and Ultra Smart Cyberspace?

In recent years, quantum computing has emerged as a groundbreaking technology with the potential to revolutionize various fields, including artificial intelligence (AI). AI has already made...

17 July 2024 1,398 3 View

What are the radiometric correction procedures that are applied in Agisoft Metashape?

Dear RG-Community, I have been using Agisoft Metashape for UAV imagery processing for quite a while now. Also a while ago, I stumbled upon the Micasense GitHub repository and saw that individual...

17 July 2024 8,580 2 View

What could be the possible reason that sintering of polycrystalline diamond fabricated with tape casting has suddenly started failing?

I make polycrystalline diamond with tape casting followed by HPHT sintering. When i sintered the samples up till May, the sintering was good. When i sintered the samples in June and July at the...

16 July 2024 3,212 5 View

Why am I seeing only one initial maximum in torque-time curves for the fusion of PVC in a Brabender?

We're studying the stability and fusion behavior of multiple PVC compounds in a Brabender. After a few trials, we set the temperature at 195 °C and the rotor speed at 70 rpm. Samples differ in...

12 July 2024 2,768 1 View

What is a good research topic in psycholinguistic for my future PHD career?

I am interested in the language processes of a person with a cognitive deficit from birth. The way the person understands the English language in a concise communication manner Discourse...

11 July 2024 6,730 4 View