Re: [AMBER-Developers] namelist

From: Volodymyr Babin <>
Date: Wed, 17 Mar 2010 19:45:40 -0400 (EDT)

you may also try using ncsu-parser to parse the input instead of
namelist; it parses trees of key-value pairs and provides a
way to know whether some variable (either a key-value pair, or
a section containing key-value pairs) is present or not; OTOH,
the invocation is somewhat more verbose then for a namelist
(see one of the ncsu-*-hooks.f for an example)



On Wed, March 17, 2010 17:09, Carlos Simmerling wrote:
> does anyone know if there is a way to know if a user specified a variable
> in
> the mdin namelist? I'm wondering about making it bullet proof- make sure a
> user doesn't set something that they should not. I know I could set a
> dummy
> value, and if it's not the dummy I could take action, but there are a lot
> of
> variables that would need this and it would make the code more
> complicated.
> Is there a simple way? or should I assume that if I say in the manual that
> a
> variable is ignored unless you run a certain type of calculation, that
> it's
> ok to silently ignore a user's request to change the value?
> carlos
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Received on Wed Mar 17 2010 - 17:01:58 PDT
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