How to analyze a particular region of my simulation box in GROMACS?

Hi, I am using GROMACS 5.1.4 to simulate water in contact with a surface. I am only interested to calculate some properties of water near the surface. Let's say at a distance of x nm from the...

03 March 2021 9,989 2 View

POlymer+DMSO solution and moisture??

What could be the reason of moisture at the sides of Vial when I am preparing my polmyer+DMSO solution for membrane fabrication? What etiquettes I am possibly missing here?

28 February 2021 6,516 5 View

Can the Dunn's test be used as an appropriate post-hoc for the G-test?

Research Question: Are red grouse (Lagopus lagopus scotica) a statistically significant proportion of raptor (bird of prey) diets? I am planning on using a series of G-tests (determining whether...

23 February 2021 5,827 3 View

What low-cut filter (high Pass frequency) to be used for response spectrum (Tripartite plots) ?

What low-cut filter (high Pass frequency) to be used for the response spectrum (Tripartite plots)? I am currently working on differentiating between hard/soft site responses in Indo-Gangetic...

21 February 2021 9,273 2 View

Where can the fault diagnosis data set of lithium battery be found?

Most of the data sets on the network only contain good information about the voltage and internal resistance of lithium batteries. The data of faulty battery is missing. Who can help me, I will be...

21 February 2021 8,659 1 View

How to define the sink temperature and film coefficient?

Hi, everyone. I am considering the heat conviction during compacting simulation by Abaqus. I was wondering that how to define the sink temperature and film coefficient? Is there any references...

21 February 2021 6,197 1 View

How to discriminate between Sentinel-2 Level-2A Product Discriminators?

According to the Sentinel-2 user guide here (https://sentinel.esa.int/web/sentinel/user-guides/sentinel-2-msi/naming-convention), the compact naming convention is arranged as...

21 February 2021 5,919 9 View

Are ZnS nanoparticles moisture sensitive?

Hello Everyone, I tried to form ZnS nanoparticles using the hot injection method and was able to form the same (confirmed by XRD). When I centrifuged, after the reaction I got a kind of white...

17 February 2021 1,709 3 View

Can anyone suggest a software for running a plant tissue culture lab?

A software which can help to design the experiment, store data, update new data, set subculture reminders, barcoding etc. Like Invitrosoft.

17 February 2021 3,015 5 View

Is an encrypted dataset with Microsoft SEAL compatible with Cloudsim simulator??

Hello, I would like to do homomorphic encryption using Microsoft SEAL on my dataset and then use it as an input to the Cloudsim simulator to do clustering on. Is it possible and compatible with...

16 February 2021 3,915 1 View

How to relate relaxation time values obtained from different equation?

I tried to fit the frequency vs Dielectric constant and f vs Dielectric Loss graph with HN equation. I got different Tau (relaxation time) values from the fittings of both graphs. What I have to...

12 January 2021 8,467 6 View

How to segregate electrode-dielectric and dielctric-dielctric interface polarization after Capacitance VS Freq. measurement using impedance analyzer?

After measuring the capacitance vs frequency for my MIM capacitor consisting of alternate layers of TiO2 &Al2O3 , there is a rise in capacitance value of ~ 20-160 nF at 100 hz, starting to...

17 December 2020 7,786 3 View

Can I use 'relaxation' constants on the linear system matrix to fit a non-linear model?

I have a model that consist of two ODEs and one PDE which are all coupled and non-linear. When I linearize the system around the steady state and simulate the system with initial values that are...

23 November 2020 6,648 3 View

A problem in simulation of non-newtonian flow by MRT-LBM?

22 November 2020 4,778 2 View

Annealing in NVT or NPT?

Dear all I want to simulate a system containing polyelectrolytic and water. I would like to do annealing for more relaxation. But, I dont know if annealing process is better to do in NVT or...

30 October 2020 745 1 View

CG relaxation with B3LYP in VASP?

I am trying to CG relax a amorphous GeSe system with B3LYP and single K-point (gamma). Even though I have a 250 atom model, the calculations seem to be extremely slow. Is there a way to speed up...

23 August 2020 8,848 4 View

How to find gR(t)=normalized shear modulus?

I want to use relaxation test data in abaqus. Abaqus wanted terms like gR(t)=normalized shear modulus at time (t) and long term normalized shear modulus to find prony series. can you help me in...

21 August 2020 317 1 View

Can anyone explain the dynamic relaxation in DEM??

DEM is based on the dynamic relaxation. But we use this dynamic relaxation in FEM which is based on discretizing the continuum domain and assign the lump masses at the nodes. But, we don't do this...

02 August 2020 5,012 1 View

Why does the equation of balance of Equilibrated force (equation containing voids) not include any thermal relaxation parameter?

In most mathematical problems considering voids, why does the equation of balance of Equilibrated force not include any thermal relaxation parameter considering Green-Lindsay theory or any higher...

20 July 2020 5,481 6 View

Can you use the FreeRate model for heterogeneity across sites in MrBayes?

Using IQTREE I received the most optimum models for my data to analyse phylogenetic tree-reconstruction. IQTREE is able to use, aside from the Gamma distribution for heterogeneity across sites...

31 May 2020 2,352 4 View