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

From: David A. Case <>
Date: Mon, 5 Mar 2007 13:18:34 -0800

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.

Received on Wed Mar 07 2007 - 06:07:28 PST
Custom Search