[gmx-users] learning Gromacs

Mark Abraham Mark.Abraham at anu.edu.au
Sat Nov 19 03:02:20 CET 2005

Abdullah Nasr wrote:
> Hello
> I'm doing my PhD in Illinois Institute of Technology in 
> Crystallization and my professor in interested in applying Molecular 
> Dynamics in this field. 
> Could anyone please tell me where to start learning Gromacs. I've been 
> reading the manual for about one month and I did some of the tutorials 
> but I still don't feel I can run a simulation. Is there any other 
> source to learn how to run Gromacs simulation?

The Schulten group at UIUC who produce NAMD run good introductory 
workshops regularly, although from the look of their site 
http://www.ks.uiuc.edu/Research/namd/ they have one at the end of this 
month which is booked out. I do recommend the course (I did one in 
Australia a few years back) - the concepts are naturally pretty 
transferable to other MD packages. There are quite a number of good 
introductory tutorials for using NAMD there too. I'm not aware of 
anything comparable for GROMACS.


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