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

David spoel at xray.bmc.uu.se
Sat Mar 22 16:43:24 CET 2003


On Sat, 2003-03-22 at 17:25, Marc Baaden wrote:
> 
> 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 .. ?

Otherwise you can prepare a simulation and have them look at some
aspects of it with gOpenMol or VMD...

I think pymol can also read some kind of trajectories...
-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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