Why do we need to neutralize the charge of the system by adding ions before we proceed to energy minimization step in GROMACS ?

I am learning MD simulations using GROMACS and while I was doing a protein in water MD simulation a doubt raised. I was following the steps mentioned on the tutorials page and it said The system...

15 February 2021 5,514 4 View

Emerging As The Future Of Industry 4.0?

Suggest some link that provides industry 4.0 related data sets such that it helps to get insights .

03 March 2020 9,287 5 View

Implementing Shannon entropy on baseline data?

I want to evaluate SE of baseline data( of varying durations for each subject/condition, the maximum being 2 minute) .Which of the following is the correct way of implementing it? 1. For a...

10 September 2019 3,534 1 View

What will be potential innovative idea for the mentioned thrust area ?

Came across the following thrust area for project proposal " Use of advanced technologies e.g. AI, 3D Printing, etc. for women centric issues "

01 July 2019 5,511 3 View

How to access stress/ strain at integration points in a umat code?

Im trying to code a damage model for beam elements, for which I know the strain at rupture. I was wondering if I could access the strain at the center of the beam to start and progress damage. As...

28 May 2019 9,755 1 View

I want to build up a medical decision making system with blood data analysis . Can be there some machine learning examples similar to my problem?

Research question

16 January 2019 8,612 3 View

What is the relation between the transport of electrons and the production of heat?

I will really appreciate if you can respond to my question.

10 November 2017 8,032 14 View

How to plot the true stress-strain characteristics of an alloy using extensometers on the UTM?

27 March 2017 1,569 7 View

Mixing of the reinforcements in the liquid metal for development of MMCs ?

27 February 2017 3,124 8 View

How to choose the best journal for submission of a manuscript?

The most critical decision while publishing a manuscript is to find a suitable journal after preparing a manuscript. There are number of factors such as impact factor, history of journal, scope,...

26 January 2017 5,868 38 View

Could you recommend any books about Number Theory?

Beginner level books. High level books. Analytical Number Theory. Algebraic Number Theory. Combinatorical Number Theory. Books about partitions. Books about primes.

03 March 2021 7,174 5 View

Arena simulation - how do i model the following model in ARENA (see description) (new to ARENA)?

Hello, I'm fairly new to ARENA and I have the following problem: I have two queues in which, in each queue, a different order type arrives (both having an arrival rate of exponential 10). Order...

02 March 2021 2,431 3 View

Can polymer concentrations be calculated based on the number average molecular weight?

Hello, I spin-cast two different polymers onto wafers and measure their height as a function of initial concentration. For polymer A, I have the weight-average molecular weight (Mw) as well as...

28 February 2021 7,882 2 View

Is there a deep reason for using the squared modulus of the wave function as the probability density of the existence of the particle?

I think we were all surprised at the first time we got to know quantum mechanics that the squared modulus of the wave function is the probability density of the existence of the particle? The role...

28 February 2021 6,282 9 View

What is Flat Lens Antenna?

28 February 2021 5,433 3 View

Can impedance of antenna be less than 50 ohms?

I am simulating helix antenna in hfss, right now, giving excitation with 50 ohms port. When I see the results of Z parameter (real). It shows lower than 50 ohms. Do not understand, if it can be...

27 February 2021 4,218 7 View

What are the application of Fixed points thoery in Chemistry.?

It is said that fixed point theory has lot of applications not in the field of mathematics only but also in various areas. So I am looking for applications in Chemistry only..

26 February 2021 3,533 1 View

Why do the air flow results vary totally when adding scalar in CFD ?

Dear All, We are using Autodesk cfd to calculate the air flow in a single sided naturally ventilated room, where air flow depends only on buoyancy due to temperature difference between inside and...

25 February 2021 9,602 4 View

How to interpolate from a time-series database ?

Hi, I am having trouble with a problem, in the field of Optimal Control and the generation of optimal time-series. Let's consider a system, whose dynamics are represented by dx/dt =...

24 February 2021 9,105 2 View

How to constrain genetic algorithm input u?

My real system (buck converter) can only take an input of 0 to 1 (duty ratio) and I need to constrain the system so the controller action keeps within this bounds. How can I do this? The code for...

22 February 2021 2,125 3 View