Ubuntu Linux 24.04 and Gromacs?

More Kamal Ahmad Qureshi's questions See All

Can I do rapid clhoride penetration (RCPT) test on paste? does it has any negative effect? looking for scholars answeers?

29 May 2024 5,438 0 View

What are selective adsorbents for radioactive Cobalt in lower pH condition?

Trace amount of Cobalt-60 is generated in nuclear reactors and needs higher selective separation competing with sister heavy elements, especially Fe-triad. Cobalt has been seen to adsorb on...

28 May 2024 2,167 5 View

How can I draw curve wavelength vs EQE for fixed current of a LED in silvaco tcad. But tonyplot is showing anode voltage instead of wavelength ?

silvaco-tcad

25 May 2024 9,599 0 View

What will be the absorption coefficient(alpha) formula for perovskite oxide materials for band gap calculation?

Different formula i used for calculation but band gap is different for these formula, which formula is correct for my...

28 March 2024 174 3 View

Is this FBS debris in my cell media?

Dear all, I prepared my cell media (EMEM+10%FBS) and another cell media (EMEM+2%FBS+1% Pen/Strep). Incubate the aliquot of the media in 37°C for a few days and saw these. They are not moving and...

24 March 2024 7,496 3 View

Do the fossils exist in Igneous rocks?

This question is very important because its answer is “ don’t and impossible to contain Fossils. This is true and universally 100% accepted, but a new paper published in High Impact Factor (6.5)...

15 March 2024 7,534 4 View

How can I download '' Chemical Equilibria in Soils by Willard L. Lindsay " as a PDF?

Chemical equilibria in soils free download

23 February 2024 3,623 0 View

average growth of jujube tree circles to determine age per year ?

What is the average growth of jujube tree circles to determine age per year?

28 January 2024 2,327 6 View

Why the Fusion-Fission Hybrid System (FFHS) needs less severe requirements on the plasma confinement quality?

I would like to know why an FFHR's plasma has no need for high power amplification performance.

22 January 2024 6,623 1 View

XRD peaks shifting?

I incorporated magnetic nanoparticles into MOF and the MOF XRD peaks shifted towards the left side. What should the possible reasons be?

22 November 2023 4,151 2 View

Gromacs first step of minimization ?

I have face this problem anyone help me how to solve this issue ?which is below Fatal error: There are inconsistent shifts over periodic boundaries in a molecule type consisting of 78 atoms. The...

07 August 2024 2,598 1 View

Are there instances where molecules with larger molecular weights exhibit greater mobility than those with smaller molecular weights?

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06 August 2024 1,495 2 View

For an in-vitro drug release study, what molecular weight cut-off (MWCO) dialysis bag is required for a 117 kDa protein?

kindly reply me. Thanking you in advance.

05 August 2024 7,727 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 anyone provide me with molecular docking softwares/ websites?

Molecular docking software/ websites?

02 August 2024 8,704 7 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

CAD File of human's & rat's respiratory airways ?

Dear all, I am working on particle deposition in human's & rat's respiratory airways using CFD and I am looking for the 3D CAD file for my simulations (STEP or IGES format). If somone has such...

29 July 2024 1,092 2 View

Why running a restart analysis in Abaqus in Ubuntu OS gives an error as attached when running the same job in Windows doesn't give any error and runs?

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29 July 2024 9,572 3 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

Ayaz Anwar

I think ALL versions of Gromacs are compatible with linux. However, which version you want to use is up to you, and you better know the pros and cons. The most recent version will be faster, may have more functions, sometimes difficult to install due to library compatibility issues (you just need the patience to make it work), may have certain unknown bugs etc.

Arpit Jain

The most stable and compatible version of GROMACS for Ubuntu 24.04 is GROMACS 2023.x. It's recommended to use the latest stable release, as it includes bug fixes and improvements. You can install it from the official GROMACS website or via package managers.

All of which can be easily done at mdsim360.com, a new platform that lets you run MD simulations entirely online without local installation.