Aditi Singh

5 Questions 3 Answers 0 Followers

Questions related from Aditi Singh

How to analyse the chemical potential equivalence between water and ions before and after initial trajectory in gromacs??

My system contains protein-ligand complex in water, neutralized by adding Na and Cl ions.

02 February 2019 9,149 2 View

How to combine a ListContourPlot and ListPlot3D from array data in Mathematica?

Can 2D plot (from ListContourPlot) and 3D plot (from ListPlot3D) be combined so that the 2D plot is the bottom surface of the 3D plot? I am not able to join it using Show. I have a 2d plane...

03 March 2018 6,164 2 View

How to calculate net charge on ligand??

Is there any software or online server for charge calculation of organic molecules?

12 December 2016 386 3 View

Has anybody done simulation of a protein with two different ligands simultaneously?

I need to simulate a protein with NAD cofactor as well one other ligand. Is it possible with gromacs?

10 October 2016 1,304 4 View

I am getting this error over and over again, any way to resolve it?

LIGPLOT failed-no atom coords found possibly this case is too difficult to plot

05 May 2016 10,164 0 View