What are the novel methods, models, or theories in nanotribology regarding molecular dynamics simulations?
I am working on an Edge Framework which aims to execute tasks/processes in real-time and to offload the tasks to other neighboring Edge Servers in case the current server does not have enough...
15 October 2019 2,337 5 View
Inconsistency between geological evidence of liquid water on Earth and Sun's energy 3 Ga before remains as dilemma. Sun was only emitting 70% of its today's energy, and liquid water is essential...
22 August 2018 6,577 11 View
k=-19.252747 slope=-19.252747 -->-19.252747--19.252747 ans = 0. -->k-slope ans = 2.132D-14 So, what is the difference? Note: k and slope calculated...
08 March 2014 8,009 2 View
Dear all, I am looking for a way to analyze hundreds of responses in a box-Behnken design. People generally analyze effect of factors on a few reponses using design expert(stat-ease). Design...
01 January 1970 2,793 1 View
Hi, I know that low molecular weight (MW) molecules generally tend to have higher mobility, while high molecular weight molecules tend to have lower mobility. However, in my experimental...
06 August 2024 1,495 2 View
kindly reply me. Thanking you in advance.
05 August 2024 7,727 4 View
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
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
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? For example consider a process for certain product manufacture where a new process flow...
31 July 2024 781 1 View
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
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
Good day, I am a student trying to work on Autodock for a project regarding Ligand-DNA interaction so i am quite new to molecular docking. i have followed tutorials and did all the steps...
28 July 2024 2,136 4 View
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