Autocorellation function - how is compute existance of hbond in GROMACS?

GROMACS version: 2018.4 GROMACS modification: No I have a question. I want to know one thing. How is computing autocorrelation function, because I am not sure about something. I try to calculate...

07 February 2021 9,525 1 View

What are the limits of determining metastability in the brain?

What are temporal limits in determining brain metastability? In other words, how long does the minimum length of the scan segment using fMRI have to be for the result to be of any value? I'm...

07 February 2021 2,380 2 View

Ansys Fluent- Velocity Inlet/ Pressure Outlet/ Symmetry/ Wall- how are the BC formulated from the viewpoint of mathematics?

Hello, I went through the Fluent Theory Guide and other Ansys learning resources, however I couldn't find the answers to the following issues. Let's discuss the problem on the example of a...

01 January 2021 1,686 3 View

Does Fluent/CFX use Reynolds-averaging when the viscous model is set to Laminar? What about icoFoam?

Hello, this question is not as trivial as it may seem. The Laminar model in Fluent/CFX is pretty stable even when the physics are not laminar at all (internal flow, Re=20k, bifurcations/pipe...

23 December 2020 4,848 3 View

How to measure volume per lipid in Gromacs?

I have a question. I want to measure the volume per lipid. I built a membrane with water and run the simulation for 300 ns. To measure the volume per lipid I used a .gro file from the simulation...

22 October 2020 2,282 3 View

Can I use repeated measures ANOVA for within-litter design developmental experiments?

I am planning a developmental experiment where I will treat neonatal mice and then I will perform test after they reach adulthood. I plan to use within-litter design as follows: I will use 12...

07 October 2020 8,539 13 View

How to compute the order parameter for the last carbon in lipid tail in membrane GROMACS?

01 August 2020 5,756 2 View

SAFT90 soccer match simulation protocol - how can i find audio record?

I am interested in simulating a soccer match using the SAFT90 protocol. While reading the papers that have used it, I understood that an audio track is required. Can anyone address me to where I...

20 March 2020 759 2 View

How can I learn parametrization by myself in molecular modelling?

Is it possible to learn parametrization by myself? Do you know some good books, videos about that? I found that https://www.ks.uiuc.edu/Training/Tutorials/science/ffTK/fftk-tutorial.pdf but I...

01 March 2020 8,688 4 View

How to apply DAPC (adegenet) on Geometry morphometry data?

Do you have some suggestions about how to apply DAPC (adegenet R package) analysis on the Geometry Morphometry dataset? The dataset contains 12 morphometric points characterized by XY...

09 February 2020 1,690 2 View

Amorphous silica XRD peak at around 10 degree?

21 February 2021 3,417 5 View

Where should I start on learning Molecular Dynamics simulation of materials like Aerogels?

I want to study thermal conductivity of Aerogel materials by using Molecular Dynamics simulation. I am new to Molecular Simulation techniques and don't know where to start.

28 June 2020 8,474 3 View

Where is the supplementary file of the paper published by Elsevier group?

Hi, Can someone kindly help me to download the supplementary file from this article: Oxygen-doped Carbon Nitride Aerogel: A Self-supported Photoc... Thank you for your time Regards, Abdul Wahab.

11 December 2019 7,467 2 View

Aerogel in automotive?

I am looking for aerogel applications, properties and also environmental impact (fuel consumption, emissions, etc) in the automotive industry, especially in the high performance field. In...

26 November 2019 1,214 3 View

Aerogel in automotive?

I am looking for aerogel applications, properties and also environmental impact (fuel consumption, emissions, etc) in the automotive industry, especially in the high performance field. In...

10 November 2019 3,800 3 View

Which is the mass you should have considered to calculate Specific Capacitance of graphene aerogel using PVA as binder?

When you calculated the specific capacitance of the electrode, you have use the mass of the active area. My question is about if my electrode composition is PVA (used as binder) mixed with a...

04 September 2019 9,999 3 View

How to maintain structure of cellulose aerogel?

Hello all, I'm making cellulose aerogel from pineapple fibers. I mix fibers and PVA in water to form gel. But in the end, the obtain aerogels were not unique form. The fibers were at the bottom...

10 March 2019 6,595 3 View

How to maintain structure of cellulose aerogel?

Hello all, I'm making cellulose aerogel from pineapple fibers. I mix fibers and PVA in water to form gel. But in the end, the obtain aerogels were not unique form. The fibers were at the bottom...

02 March 2019 5,830 3 View

How generate a complex 3D silica aerogel model with ANSYS design modeller/spaceclaim?

Hello fellow researchers, I am trying to generate a pearl-necklace like nanostructure within a cubic unit cell measuring 1 x 1 x 1 (mm). I have come across a paper titled [Simulation and Analysis...

01 February 2019 9,323 1 View

Is it necessary to make a solvent exchange in the synthesis of silca aorogels before drying?

We want to manufacture an insulation material bases on silica aerogels. Before drying it is necessary to make a solvent exchange step for three times. These steps are time-consuming and increase...

10 November 2018 3,976 1 View