Re: ABF colvar error-capped nanotube interaction

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Sat Mar 19 2011 - 12:02:53 CDT

On Sat, Mar 19, 2011 at 12:12 PM, sakthi kumaran <persakthi_at_gmail.com> wrote:
> Dear all,
>  I tried a ABF calculation on my capped nanotube structure facing each
> other.From the tutorial files I got some idea of doing it. By face some
> errors while executing my program.Here is my error list
>
>
> colvars: Initializing the collective variables module, version 20091218.
> colvars: Error: in opening configuration file "myDistance.in".
> colvars: If this error message is unclear, try recompiling with
> -DCOLVARS_DEBUG.
> FATAL ERROR: Error in the collective variables module: exiting
>
>
> mydistance,in file is
>
[...]
>
>
> Is something wrong here.Help me in fixing the errors why I am getting such
> errors.

probably the spelling of the filename itself is wrong somewhere.

you quote "mydistance,in" as the filename,
but the error message complains about
not being able open "myDistance.in".

those two names are different.

axel.

>
>
>

-- 
Dr. Axel Kohlmeyer
akohlmey_at_gmail.com  http://goo.gl/1wk0
Institute for Computational Molecular Science
Temple University, Philadelphia PA, USA.

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