[gmx-users] (OT) Nice biological MD exercises ?

[Marc Baaden]

Hi,

this post is slightly off-topic, but I think I will
hit the right community. So pls be kind to me ..

I have to give a (*very*) short introductory course
on MD (1h30) with exercises (2h30). As time is extremely
short, I am looking for very educationnally significant
exercises that are doable in such a short time and
illustrate how MD can be useful for the study of proteins
and peptides.

I am also taking any suggestions on what program to use.
I think it might be hard to get the exercise done and
explain how gromacs works in 2h ..

Ideal would be a graphical front-end, but that we don't
have right now .. ?

Thanks for any hints,
Cheers,

  Marc

NB: Some further information on the audience: they are
mostly chemists and biochemists working in the field of
proteins and peptides, mostly experimentalists (NMR,
crystallographers, ..).
The objective is to show how dynamic structures can be,
and what kind of information one can obtain from an MD
simulation.