Aiswarya Thekkedath

3 Questions 7 Answers 0 Followers

Questions related from Aiswarya Thekkedath

Can anyone guide me to create input file to perform the Gromacs run?

I have a 2D nanostructured drug complex. I want to run an MD simulation for the same using GROMACS. I could not create the force field as it shows errors every time. Can anyone help me?

26 November 2024 5,899 4 View

What is the main advantage of IOp in Gaussian 09?

If we are using IOp in Gaussian, for which functionals we can use the IOps?

10 February 2023 9,692 1 View

Can anyone suggest a software for drawing BN nanocage?

I am looking for a software to draw BN nanocage for DFT calculations. I tried it in nanotube modeler, but its not working. Can anyone suggest which one is best tool for BN nanocage structure?

06 January 2023 9,866 5 View