How to calculate the population density ?

More Ishrat Jahan's questions See All

Cluster entropy distribution through gromacs?

Dear all, I have done the MD simulation of protein in water. Now I want to do the clurster entropy distribution of protein. Can anyone tell me how to do this using gromacs or any other...

06 July 2019 1,109 2 View

Multiple MD simulations through gromacs?

Dear all, I have done the long 200ns MD simulation of protein in water. I have received a comment from the reviewer that for the convergence of the results I have to perform multiple simulations...

03 April 2019 2,970 9 View

How to calculate the Preferential Interaction Coefficient?

Dear all, I am trying to calculate the preferential interaction coefficient of osmolytes with protein from COM of protein. I had tried to calculate it using gmx select command of gromacs but when...

31 December 2018 9,716 2 View

Can anyone tell what value of Temperature should be taken during the binding constant calculation after docking?

I am trying to calculate the binding constant of drug after docking through Auotdock4. Can anyone tell me what value of Temperature should be taken during the calculation? It has also been know...

11 December 2018 3,711 7 View

How to calculate the number of water molecule at particular distance from the surface of protein?

Hi, I have done the MD simulation of protein in water . Now I want to calculate the number of water molecule at particular distance from the surface of protein to see the protein hydration. Can...

04 May 2018 3,717 7 View

Position restraints MD

Dear all, I am doing MD simulation of protein and metal atom. I have to apply position restraints on metal atom. I have applied it as follows- ( kindly correct me if i am wrong) first made an...

01 January 1970 6,939 5 View

What is your perception on using visual analysis or quantitative approaches to evaluate data from single-case research designs (n of 1 trials)?

Results of single-case research designs (i.e., n-of-1 trials) are often evaluated by visually inspecting the time-series graph and computing quantitative indices. A question our research team is...

03 March 2021 687 1 View

Is there a powerful system for the security of the systems distributed on IoT systems?

02 March 2021 3,858 10 View

How Relativistic effects is one reason for lanthanide contraction?

The Lanthanide contraction which is the decrease in ionic radii of the elements in the lanthanide series from atomic number 57, lanthanum, to 71, lutetium, is due to poor shielding of the 4f...

01 March 2021 2,272 4 View

How can I make stacked bar graph with scatter plot?

I want to make a stacked bar graph with showing each data value as dots. I tried with graph pad prism, version 6, but could not succeed. Does anyone have tried before making such graphs?

01 March 2021 9,383 1 View

For modelling epoxy-based matrices (in composites), which model in ABAQUS is the most suitable, Concrete damaged plasticity or Drucker-Prager model?

I am working on developing a micromechanical FE model for predicting kink-band formation in UD composites. To model matrix plasticity, which model, out of Concrete Damaged Plasticity and...

28 February 2021 5,415 1 View

What could be reason for getting such type of graph for complex impedance in case of polymer blend films?

Its effect appears in real part of ac conductivity also. Can anyone suggest any reason behind it?

26 February 2021 3,487 3 View

Can anyone share his experience regards Smoothing in origin?

I am working on TiO2 composite material and the results of XRD have a lot of small/junk peaks and while I apply a smooth filter in Origin then the other characteristics peaks disappear so anyone...

26 February 2021 8,183 3 View

How to calculate battery consumption for IoT device?

Hi, everyone I'm working on a privacy-preserving algorithm that will apply to IoT devices. So, I need to measure the power consumption by implementing this algorithm. Any suggestion, advice,...

25 February 2021 8,749 6 View

Can I use a graph from a another source in a thesis?

I have a permission from X company to use their graph from a report, but they have a reference in the bottom left corner of the graph as follows: "Source: Database Y". Is it OK to use this graph...

24 February 2021 2,269 3 View

How vulnerable is water and wastewater infrastructure to cyber terrorism in an age of IoT?

Im looking for any papers, reports,articles, links etc on information on How vulnerable is water and wastewater infrastructure to cyber terrorism in an age of IoT.

24 February 2021 2,750 4 View

Debopam Ghosh

you can start off with a bi-variate Normal distribution assumption with center at the computed mean values for Ree and Rg, from the available dataset of the two variables construct the Variance-Covariance matrix, now you can carry out multivariate goodness of fit tests to determine whether the data you have is in agreement with this Normal distribution parametrized by the above calculated mean vector and the variance covariance matrix .

Ishrat Jahan

Dear Ghosh,

Is there any command available in gromacs for calculating population density between Ree and Rg as gmx sham command is used for calculating the Free energy between Ree and Rg?