Reza Khiabani

2 Questions 5 Answers 0 Followers

Questions related from Reza Khiabani

Why can not CNT (carbon nanotubes) absorb any atoms?

I work on the adsorption of ions and inhibitors on CNT (armchair structure). Recently, I did a molecular dynamics simulation with Gromacs software with a Charmm 27 force field. But CNT only...

08 January 2022 6,549 9 View

Problem in calculation of linear interaction energy

I want to calculate energy binding with the LIE method in Gromacs, but Gromacs 2021 cannot read the energy file correctly (ener.edr). For this purpose, I will explain the simulation step by step...

01 January 1970 4,511 0 View