[AMBER-Developers] namelist

From: Carlos Simmerling <carlos.simmerling.gmail.com>
Date: Wed, 17 Mar 2010 17:09:10 -0400

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?
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Received on Wed Mar 17 2010 - 14:30:02 PDT
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