[gmx-users] GROMACS OR NAMD

Mark Abraham Mark.Abraham at anu.edu.au
Fri Jul 27 15:58:59 CEST 2012

On 27/07/2012 9:05 PM, Shima Arasteh wrote:
> Hi,
> Does GROMACS package have any advantages over NAMD?

Yes, but the real question is which package provides the best scientific 
return for your time and your computer time, given your simulation 
problem, your hardware and your experience with each package. You don't 
want an F1 car to drive to the shops, and there's no point being in pole 
position in a station wagon. You need to read at least the most recent 
publication describing the newest features and performance in each in 
the context of your problem, before you can start grappling with the 


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