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

Is anyone familiar with the cyclic compressive fatigue testing (BS EN 12697 - 25) ?

I would like to get more information on the cyclic compressive fatigue testing (BS EN 12697 - 25) which is typically done for bituminous material in pavement design. Any one can advise on the...

28 February 2021 2,004 3 View

Stress/strain tensors decomposition ???

25 February 2021 6,760 1 View

The most suitable method to calculate the stress intensity factor in the presence of contact between the crack lips?

I'm trying to study cracked structures under a compressive load taking into account contact between the crack lips. I would like to know if the method of extrapolation by displacement remains...

21 February 2021 8,694 4 View

Is there any effective FEM solver to perform simulation of balloon inflation with large deformation (e.g. 300% strain)?

Hi! Thank you for your time, attention, and support. I am currently using FEM solver Abaqus to perform a set of balloon inflation simulations, trying to understand the deformation shape, stress,...

14 February 2021 2,524 4 View

Coupled hydric and mechanical equation COMSOL?

hello i am trying to study the mechanical deformation due to the humidity on a 3d volume formed of 2 phases. my equation are dw/dt =grad(Dm*div(w)) and the mecanical is sigma=E*beta*nabla(w)....

27 January 2021 5,201 1 View

Just face a Comsol issue dealing with magnetically hyperelastic material?

Hello all, I am just newly doing a simulation to test the deformation status of a magnetized rubber-like material, which is in-compressible, under a shifting magnetic field. Try to find the...

22 January 2021 7,427 2 View

Why is Abaqus showing me the deformed and undeformed shape at the same time?

17 January 2021 8,952 3 View

Any reference to learn numerical methods for Viscoelastic compressible fluids(oil) (CFD)?

I am developing a solver to simulate compression of oil in shock absorber filled with viscoelastic compressible oil. The model will consider the loss due to viscosity which will decide the...

15 January 2021 1,707 1 View

How can I export text file that include node location for Ansys 2020?

Hi, I am currently simulating pipe using modal analysis. How can I export a text file that includes node location for Ansys 2020? Currenlty if I export the total deformation text file it only...

10 January 2021 2,427 2 View

How to implement truss element with no effect of compression in ansys workbench static structural?

I was trying to add ligaments in cervical spine geometry. There it is mentioned in the existing literature to add the ligaments in the geometry as truss element with no effect of compression....

03 January 2021 2,205 0 View