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

error in running a model in Abaqus

Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1

17 August 2021 0 0 View

error in modelling model in Abaqus

Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1

17 August 2021 0 0 View

MGL tools

20 June 2021 0 0 View

i have some problem with chtMultiRegionSimpleFoam

--> FOAM FATAL ERROR: Maximum number of iterations exceeded From function Foam::scalar Foam::species::thermo::T(Foam::scalar, Foam::scalar, Foam::scalar, Foam::scalar (Foam::species::thermo::*)(Foam::scalar, Foam::scalar) const, Foam::scalar (Foam::species::thermo::*)(Foam::scalar, Foam::scalar) const, Foam::scalar (Foam::species::thermo::*)(Foam::scalar) const) const [with Thermo = Foam::hConstThermo >; Type = Foam::sensibleEnthalpy; Foam::scalar = double; Foam::species::thermo = Foam::species::thermo >, Foam::sensibleEnthalpy>] in file /home/ubuntu/OpenFOAM/OpenFOAM-4.1/src/thermophysicalModels/specie/lnInclude/thermoI.H at line 66. FOAM aborting #0 Foam::error::printStack(Foam::Ostream&) at ??:? #1 Foam::error::abort() at ??:? #2 Foam::heRhoThermo >, Foam::sensibleEnthalpy> > > >::calculate() at ??:? #3 Foam::heRhoThermo >, Foam::sensibleEnthalpy> > > >::correct() at ??:? #4 ? at ??:? #5 __libc_start_main in "/lib/x86_64-linux-gnu/libc.so.6" #6 ? at ??:?

24 March 2021 0 0 View

Protein-aptamer gel electrophoresis help, please??

Hi, I have problems with running gel electrophoresis. I have tried agarose gel electrophoresis and native PAGE. I have two proteins, which have molecular weights of ~30kDa and ~180kDa and two...

03 March 2021 4,275 4 View

What's the best way to measure growth rates in House sparrow chicks from day 2 to day 10?

What's the best way to measure growth rates in House sparrow chicks from day 2 to day 10? Since, the growth curve from day 2 to 10 won't be like the "Logistic curve" it might not follow logistic...

03 March 2021 1,401 3 View

What is the production process of CaFe ferroalloys?

I looking for ferro calcium production process

03 March 2021 1,755 4 View

What are some important techniques for protein induction and SDS-PAGE analysis?

Hello everyone. I am fairly new in protein chemistry field. I am trying to perform a protein induction hoping to purify my protein of interest using FPLC method. However, I am having trouble on...

03 March 2021 8,237 3 View

Resistor definition in Piezoelectric bimorph with ANSYS workbench

Hello, good day! I am trying to simulate similar bimorph piezoelectric harvester with below commands. However, the output power doesn't change with resistor value. Please help to find the reason. ET,10,CIRCU94,0 !SET UP RESISTOR R,1,100000 !RESISTANCE VALUE TYPE,10 !SET ELEMENT TYPE E,1,2 !CREATE RESISTOR BETWEEN NODES 1 AND 2 Thanks in advance Regards,

02 March 2021 0 0 View

SDS page software for analysis?

I did sds page to determine the difference in protein expression between 3 types of vaccine , but i don't have scanner or densitometer available. . so i wonder if there is a software to analyze...

02 March 2021 6,270 3 View