How can I calculate the rdf of water molecules around 'Na' ions that are closest(adsorbed) to the nanoparticle(solute)?

Hi, I want to calculate the radial distribution function for water molecules around the Na+ ions adsorbed on the surface of a spherical nanoparticle using the gromacs trajectory dynamically? For...

28 February 2021 5,650 1 View

How to formulate Energy minimization in Molecular dynamics simulation for alloys using meam potential?

during MD simulation, the atoms are not moving as per required. The problem (as per my observation) lies in energy minimization technique. upon application of tensile strain in x or y direction,...

22 February 2021 380 5 View

How to generate AA6061 alloy or any aluminium alloy crystal in material studio?

I need to carry out molecular dynamics simulation on Aluminium alloy. For this i need the crystal structure that which could be further replicated to form a structure.

22 February 2021 1,410 1 View

How to incorporate Monte Carlo simulation in for a real trading data?

Hello, My area of research is to valuate Exchange option (Margrabe option). I am looking for Monte Carlo simulation technique that can be applied to some real trading data. I have evaluated them...

05 February 2021 1,605 4 View

How do I analyse a Photoluminescence Spectrum ?

I have a few questions related to PL (images attached for same material by 2 methods), It would be great to get some help. 1. What is the physical meaning of highly intense PL? Does this mean...

02 February 2021 1,791 3 View

How to choose the electrolyte for (electrochemical impedance spectroscopy) EIS ?

Hi, I am working on a multi cationic material that has Li in it. I wish to measure the conductivity of my sample. We have a 3 electrode system with Ag/AgCl as a ref, platinum, and glassy carbon...

29 January 2021 405 2 View

Why this SSR primer show band like that ?

Each time this SSR primer show band like that other show one or two band . Is it polymorphic ?

11 January 2021 2,221 5 View

How can we maintain the two different DC high voltages of same polarity between parallel electrodes inside the vacuum separated by few millimeter?

I am trying to maintain two different high DC voltages of same polarity (either positive or negative) between two parallel electrodes separated by 500 um inside the vacuum. However, what I found...

21 December 2020 1,735 3 View

Quantum information & Black Hole information Paradox?

If quantum information is stored on the Event horizon of the black hole (according to the Holographic principle), What happens to information when black holes evaporate or merge?

02 December 2020 10,029 5 View

Why pcr product show band below 50 bp ladder ? Or is this amplified or not ?

I am using ssr primer .anneling tem below 5degree of Mt .

16 November 2020 2,314 6 View

Where can I find these two papers?

14 January 2021 1,572 3 View

Purification of Octapeptin C4?

I am doing synthesis of Octapeptin C4 analogues with variable tail moieties as part of my project. I have made the final compound, which is cyclized and all BOCs removed. The problem is, I can't...

16 December 2019 1,730 2 View

How to calculate the radius of gyration in nanoseconds (ns)?

I would like to calculate the radius of gyration in nanoseconds(ns), as it is in many publications, instead of picoseconds(ps). How to change the units (in grace) or how to modify the command to...

10 November 2019 2,380 6 View

How to compare GRACE GWS data results with local well data? what are the scaling parameters ? what type of precautions should I take while comparing?

Actually local well data is absolute groundwater level which measured quarterly in a year and having units as meters. GRACE GWS results are changes of groundwater storage in cm. How to compare...

03 April 2019 7,586 2 View

How to use GRACE CSR RL05 mascon solutions to estimate total water storage changes?

I have collected the data and converted it from NC file to excel form. It showed the water equivalent thickness with respect to grids and time. Can I apply this data directly to my study area by...

11 December 2018 2,151 0 View

Comparison with experimental results ?

Hi Can we get exactly same results of the bubble simulation in an infinite medium by VOF method like we have in experimental results / correlations from Grace, Clift and Weber. OR their are some...

11 December 2018 4,872 0 View

How to plot Gromacs protein-ligand hydrogen bonding as a line?

I want to plot the time serie data of number of hydrogen bond (between protein-ligand) from a MD simulation with Gromacs as in this...

26 April 2018 9,806 2 View

How has Google changed the medical rounds?

Knowledge is both a pleasure to give and to receive. Its is rare human who does not accept mental horizon-widening knowledge with grace. How has artificial knowledge (AI) impacted this otherwise...

03 April 2018 9,693 2 View

How to plot Gromacs protein-ligand hydrogen bonding as a line?

I want to plot the time serie data of number of hydrogen bond (between protein-ligand) from a MD simulation with Gromacs as in this...

03 April 2018 5,614 4 View

How to process GRACE L1B data into the spherical harmonic coefficients?

Hello, friends. I have a question: how does GRACE L1B data transformed into the spherical harmonic coefficients? This question may be basic for an expert, but it really confused me a lot. I would...

11 December 2017 6,121 0 View