[gmx-developers] gromacs developer workshop Oct 17-19 Göttingen

Christian Blau cblau at gwdg.de
Wed Aug 29 18:20:08 CEST 2018

Dear developers,

Following up on the telco, here is the invitation to the Göttingen meeting to those who didn't yet receive it.

Please note that we usually do not announce meetings on the GROMACS developers list and see this as an exception for 
this very tailored case.

It is less than two months to our next GROMACS workshop that focuses on GROMACS development. Following the tradition of 
the last two years, we'll hold the meeting in Göttingen from 17-19th of October 2018.

You are welcome to register at

We rely on your input before the workshop to give you back a program that is tailored to your needs and wishes. Use the 
unique opportunity to pick the brains of some GROMACS core developers and get feed-back on your planned contributions.

Some leading questions we want to address are
* How can a highly optimized, parallel simulation code provide a general infrastructure that allows incorporation of new 
methods in a straightforward way?
* Can it do so without sacrificing (parallel) performance?
* Can the software be made less monolithic and blackbox-like, but more modular and extensible?
* Can providing an own method become less of a challenge for the average scientist who is not at the same time a GROMACS 
coding expert?

Please, forward this announcement as you see fit and get back to me if you do not wish to receive further emails.

Looking forward to seeing you in October!
Christian Blau

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