Search results

• QM/MM best practices, HPC2N, 2021-12-9
  ...olecular Dynamics (MD) simulations and the combined Quantum Mechanical and Molecular Mechanics (QM/MM) simulations. We will start from scratch by setting a MD s
  1 KB (178 words) - 14:56, 9 November 2021
• MD simulations with a focus on NAMD (HPC2N, UmU), 2022-04-(07-08)
  ...rse is to let participants learn how to use NAMD to set up basic molecular dynamics simulations, and to understand typical NAMD input and output files. ...rse. During the second day, we will learn how to setup a steered molecular dynamics simulation (Na-Cl system) and use the results to compute the free energies
  1 KB (207 words) - 13:38, 28 February 2022

View (previous 20 | next 20) (20 | 50 | 100 | 250 | 500)