Dear Daniela,
> I am planning to teach an undergraduate computational
> chemistry class. I
> am planning to use windows but I want to make sure our computers are
> powerful enough. What are the compiler and hardware
> requirement for amber 8?
> (we currently have machines with P(R) 4, 1.5 GHz, 256 RAM and
> 75 GB HD)
These should be fine. Essentially the hardware requirements are the faster
the better... Amber 8 will run on just about anything. I've run it on my
pocket pc and you can probably even run it on an old 386 if you can get it
compiled.
The specs you state above will be fine for running small simulations, say a
few thousand atoms. All of the tutorials on the Amber website should run
fine in these specs. The only problem could be memory but with classical MD
on smallish systems you won't have a problem.
For windows you may want to consider installing cygwin
(
http://www.cygwin.com/) since this will make amber much easier to use. You
then have an xserver available so you can run things like xleap without
problems.
All the best
Ross
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|\oss Walker
| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel:- +1 858 784 8889 | EMail:- ross.rosswalker.co.uk |
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Received on Wed Feb 02 2005 - 18:53:00 PST
