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

Can we classify HV and LV lines based on line length?

I have dataset which shows the length of power lines. I need to classify the lines based on the line length. Is there a rule to classify the High voltage (HV) and low voltage (LV) lines based on...

03 March 2021 4,116 4 View

What test should I use to compare two or three means, if data is not normally distributed but sample size is > 30 in each group?

I personally feel this as a most confusing question. As per my understanding, if sample size is > 30, and sample is skewed, we can still use paramteric approach, as it will follow Z...

01 March 2021 1,587 6 View

Distribution of particles in metal matrix?

How would define the "good" and "poor" distribution of particles within the matrix. Is there a quantitative solution to assess the distribution of the particles, which then having denotation of...

28 February 2021 7,397 8 View

Covid 19 Pandemic ' impact on digital transformation?

Covid 19 Pandemic and digital transformation

22 February 2021 3,351 5 View

How to examine multicolineairty in backwards regression with binary variables?

I did a backwards regression with various binary variables, but some of the binary variables are negatively correlated with the outcome, which would make no sense cause the correlation univariate...

21 February 2021 4,392 3 View

Are there SDMs that can take in percentage data?

Hi everyone, I am wondering if anyone knows of a species distribution model that can take in percentage data (i.e. presence data with prevalence values attached to them)? The dataset I have...

18 February 2021 7,312 3 View

What are the best cations for preparing competent cells, Ca2+ or Mg2+?

I have been reading various articles and most state that treatment with CaCl2 produces higher efficiency of transformation than MgCl2. Can anyone explain why Ca2+ is better than Mg2+ at...

16 February 2021 8,519 5 View

Is the logarithmic transformation a necessary step in time series analysis ?

Hello, I'm checking if the log-tranformation of time series data is a necessary step; We all know the aim of such transformation, but in every study (in time series analysis) we found the authors...

15 February 2021 5,655 14 View

How much amount of DNA (ligation mix) should I use for transformation?

Hi Fellow Scientists! I am trying to clone my 300 bp insert into a 6 kb vector. I run a few different ligation reactions using (1:3 vector: insert molar ratios) 10, 20,30, and 40 ng/ul vector...

15 February 2021 9,563 6 View

What are the popular techniques for pre-processing measurement data in Smart Grid/Power System?

The data collected from various measurement devices often contains erroneous values - such as noise, missing values, etc. What are the popular techniques for pre-processing measurement data in...

14 February 2021 4,642 2 View