Omar Mohammed

3 Questions 3 Answers 0 Followers

Questions related from Omar Mohammed

How to create psf file from pdb file by VMD?

Hello everybody, I am trying to create psf file from pdb file for a small molecule such as a drug by using the Automatic PSF builder of VMD software. However, I am ending always with the attached...

28 July 2022 5,920 3 View

What is the proper RMSD value to study protein-ligand interaction using MDs?

I am studying protein-ligand interaction using Molecular Dynamics simulations. I have run MDs for the protein alone and the protein with different ligands. RMSD of the protein alone is around 0.39...

03 February 2020 3,410 1 View

Computer for Gromacs (Molecular dynamic simulation)

I am trying to buy a computer for molecular dynamic studies performed by Gromacs. I have found this computer in the market ThinkPad P17 Mobile Workstation. Do you think it is not good enough to...

01 January 1970 7,505 5 View