Two questions on VIAMD

BioExcel Webinar Webinar #75 - VIAMD
1

Hi,

  1. Does VIAMD support .xyz format?

  2. For the QM/MM simulations is it possible to analyze molecular orbitals using VIAMD for example using .cube files?

2

1 . Yes. VIAMD support a variety of xyz files such as classical multiple xyz file and tinker file (arc). All file format supported are discussed here: File format supported · scanberg/viamd · Discussion #36 · GitHub

  1. VIAMD does not support any visualization of electronic structure property such as orbitals for the moment. We are thinking about developing this branch in the future.