BioExcel’s webinar series continue with a presentation by Christian Blau
Abstract
Setting up biomolecular simulations with GROMACS requires a number of parameter choices. While some of them, like the number of simulation steps, are obvious, other options have less obvious meanings, yet impact simulation results or performance.
In this webinar, we will look at the simulation parameters that are set in .mdp one by one, see how they are connect and how they affect scientific correctness and simulations performance.
Presenters
Christian Blau
Christian Blau
- PhD in Göttingen with Helmut Grubmüller at Max-Planck-Institute for
biophysical Chemistry. - from 2015: Reseracher at Stockhom Unviersitet and KTH with Erik Lindahl,
working on GROMACS development and concepts to drive simulations with experimental data
Register for webinar
Title: A walk through simulation parameter options (.mdp files) for GROMACS
Date: 5th December, 2019
Time: 14:00 GMT / 15:00 CET
Registration URL: https://attendee.gotowebinar.com/register/5648316978867324429
Webinar ID: 373-170-043
You will then receive an email with details of how you can connect to the webinar.
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