In Silvaco ATLAS, I am finding a error query like "Solution algorithm cannot reduce residual(s)". Is there any solution to this? please help me guy,s

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MGA Analysis for more than two groups ?

I did MICOM and obtained partial invariance for both my demographics: teaching experience. I split the teaching experience into three groups to do Multigroup analysis However, I am not able to...

28 June 2024 3,721 4 View

What is the syntax for non-Schmid coefficients in DAMASK to capture the tension-compression asymmetry?

I have tries "a_nonSchmid_110" or "a_nS" in the material.yaml file, but none of these works. Help is highly appreciated.

27 May 2024 5,545 3 View

How can we predict the PDB structure file for an RNA sequence ? ANy webserver is available to predict the PDB file for a RNA fasta sequence ?

I want to predict analyse the Protein-RNA interaction from modified constructs. For this I have a protein and RNA sequence. I want to see the binding interaction at different positions of RNA and...

12 May 2024 6,795 3 View

Cross-linking density and swelling ratio in the reaction solvent should be provided. What does it mean?

Cross-linking density and swelling ratio in the reaction solvent should be provided. What does it mean? Can you explain?

21 March 2024 5,571 1 View

To drop or keep the item during EFA?

In my EFA, an item has high communality but loads highly on different factor. Can I still keep the item as its explained in its theory?

16 March 2024 9,170 0 View

Why is my sub-cloning not working?

I have two different construct: 1. Insert 1 (~3kb) at XhoI and ApaI site in NCVB vector (9.7 kb). 2. Insert 2 (~1.7kb) at XhoI and ApaI site in in pENTR/D vector (2.6kb) I want to replace Insert 1...

09 March 2024 8,215 7 View

Does sodium level of blood in rheumatoid arthritis patient using methotrexate as DEMARDS falls from the normal value?

It is recently reported as a case study in a medical journal that Sodium level in blood falls down to 119 mEq/L leading to hyponatrenia. Will anybody suggest if it is so what precautions can be...

04 March 2024 2,059 1 View

Can someone please share the CIF file for the MnFe LDH structure?

Dear All I want to explore the properties of manganese-iron layered double hydroxide (LDH) structures and am in need of the CIF (Crystallographic Information File) for the MnFe LDH structure. If...

13 February 2024 2,260 0 View

Anion Exchange Membrane(AEM) available for Non Aqueous Organic Redox flow battery?

I am Sandeep Kumar Sahoo, and I am working on a non-aqueous redox flow battery (NAORFB). As the membrane is an essential component of a redox flow battery, I cannot find a suitable AEM. The AEMs...

04 January 2024 6,606 0 View

What t test should be used? Paired or Unpaired?

Lentils were purchased and divided into 5 replicates. Phytic acid content was measured in the five replicates before soaking and after soaking (6 h). A researcher wants to know whether soaking...

03 January 2024 2,283 4 View

How to start a Molecular Dynamics Simulation?

Is it possible to conduct a molecular dynamics simulation to see the effects of a specific carbohydrate on the structure of lipids (e.g., micelle structure)? I am a beginner in this field and plan...

03 August 2024 3,371 3 View

Which will be the best software for the Hydration shell analysis with molecular dynamics?

I am using a windows system, what software I should use for hydration shell analysis with molecular dynamics?

02 August 2024 3,143 4 View

Can we patent a process flow diagram developed using a process simulator but no actual cases is carried out?

Can we patent a process flow diagram developed using a process simulator but no actual cases is carried out? For example consider a process for certain product manufacture where a new process flow...

31 July 2024 781 1 View

How to restart MD without using checkpint file in GROMACS?

Dear All Gromacs User I would like to restart MD without using checkpint .cpt files? I heard there is a way for acheiveing this. Any input and sugegstions are most welcome. Thanking You Budheswar

29 July 2024 3,084 8 View

How to prepare a molecule for molecular dynamics calculations?

If I want to calculate molecular dynamics (Gromacs), do I first need to optimize the geometry of the molecule? For example, I first draw the molecule in Avogadro, and then what? I guess I can't...

28 July 2024 673 3 View

How to Import Blade geometry from CAD file in ANSYS design modeler?

Hello. I have the geometry of a blade in CAD file (stp) and I want to prepare the blade for meshing with turboGrid. I must import this file into designModeler and then transfer to the...

27 July 2024 356 3 View

How can I calculate AlGaN/GaN HEMT Breakdown Voltage on Silvaco TCAD?

Hello, I'm newbie to TCAD. I wanna calculate Breakdown Voltage of AlGaN/GaN HEMT. But, my code shows just saturation. Could you please help me how to simulate Breakdown Voltage of my code? And...

25 July 2024 3,738 1 View

How can i solve the code problem in Sentaurus TCAD?

Currently, I have created a gate-all-around process using sentaurus tcad and I am trying to measure the noise using the cmos noise code. However, an error occurred during the simulation. The error...

24 July 2024 6,352 0 View

How to create parameter and coordinate files for ligand in amber when FATAL error (maybe due to duplicate bond specifications) happens?

Hello, I'm trying to create parameter and coordinate files for a drug (PRG-A01) found on the following page: http://www.probechem.com/products_PRG-A01.html I used the guide made by Michael...

17 July 2024 3,472 3 View

How to define a zeolite structure with rigid framwork?

Dear Gromacs users, I would like to simulate a zeolite-water system. In different literature, it is suggested to consider a rigid framework of zeolite to decrease the computational cost. I would...

15 July 2024 4,590 1 View