[gmx-users] Amber6.0 -> GROMACS3.1 ?

[David van der Spoel]

On Fri, 3 May 2002, Wolfgang Zocher wrote:

>>Apart from performance benchmarks there are none that I know off. Do you mean force field comparisons?
>>
>Benchmarks would be fine if I can see how the setup (input data, etc.) 
>of Amber6.0 refers to equivalent setups in GROMACS. I'm very new to the 
>field of MD and so I need some guidance in doing my first steps.

In this case I suggest you read the first four chapters of the manual, and
run the tutorials. We have not run Amber ourselves, but took CPU tims from
other websites etc.


Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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