Daily Archives: September 4, 2018

Webinar: Molecular simulation control and extension with gmxapi for GROMACS. (2018-09-19) 1

 BioExcel’s webinar series continue with a presentation by Eric Irrgang, Kasson Lab Register Abstract gmxapi is a framework and front-end designed to support new methods in molecular simulation. A Python package provides a scriptable interface to manage ensembles of simulations. A C++ extension interface allows researchers to attach custom […]