Re: amber-developers: Running sander: double input parameters

From: Scott Brozell <>
Date: Tue, 6 Mar 2007 13:31:06 -0800


On Mon, 5 Mar 2007, David A. Case wrote:

> On Mon, Mar 05, 2007, Ilyas Yildirim wrote:
> >
> > When a paramerer is defined twice in the sander input file, sander
> > uses the second defined parameter. For instance, I - by mistake - defined
> > 'ntr=1' first, and then 'ntr=0' in the input file, and sander did not give
> > any error message. I think that it might be good if sander gives an error
> > message in this case, as defining the same parameter twice in the input
> > file means out-of-sight mistake.
> This would not be easy to do: we would have to write (and use) our own
> namelist parser, rather than using the one provided by the compiler.
> If someone knows of portable code that does this, we will look at it.

Not me nor can I find a compiler with an option to perform this checking.
But I did find that namelists support comments in fortran 95 !
Now you can use a comment to decipher your usual cryptic variable name:

  nnsuf = 69 ! Number of Ninnies Still Using Fortran
  ! Fortran moving at a glacial pace to improve your TUI
  ! ( Textual User Interface ).

Received on Wed Mar 07 2007 - 06:07:45 PST
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