RE: amber-developers: Troubles at PSC

From: Yong Duan <duan.ucdavis.edu>
Date: Fri, 5 May 2006 08:23:03 -0700

Follow-up on Adrian's comment,

My impression is that a growing body of our users are non-specialists who
happen to think that MD is a useful tool to explore things. The tutorial,
example, benchmark scripts are probably the ones that they use first without
reading the 300+ page manual. It may be a good idea to make these scripts
(and default input) with the realistic scenario in mind.

yong
> Subject: Re: amber-developers: Troubles at PSC
>
>
> Robert and list:
> As for the guidelines, I always thought that you give the
> user enough rope to
> hang themselves with ;-) However, by reading the examples in
> the manual, the test cases, and
> the tutorials, the user should get a good idea of what types
> of 'flags' to use.
> Basically, the tutorials from Ross use reasonable time steps, etc.
> if the user wants to try running amber without looking at
> those, adding
> text into the manual warning them will not quite help either.
> Cheers
> Adrian Roitberg
>
Received on Sun May 07 2006 - 06:07:06 PDT
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