Re: Error: keyword "abf" found without configuration

From: Michael Robinson (michael.robinson1_at_monash.edu)
Date: Wed Oct 27 2021 - 19:27:57 CDT

Hi Ashutosh,

Your input file has a line break between 'abf' and the curly bracket '{'
that opens the configuration block - this is causing the ABF configuration
block to be skipped, and so your input file is failing. I can't test your
given file without the associated system, but I double-checked that this
would occur with one of my own ABF input files, and this caused the same
error.

Hopefully that helps,
Regards,
Michael Robinson

On Thu, 28 Oct 2021 at 06:56, Ashutosh Shandilya <scfbioiitd_at_gmail.com>
wrote:

> Hi All
> I want to run eABF with namd and I am getting following errors
>
> colvars: Collective variables initialized, 2 in total.
> colvars: Error: keyword "abf" found without configuration.
> FATAL ERROR: Error in the collective variables module (see above for
> details)
> FATAL ERROR: Error in the collective variables module (see above for
> details).
>
> I was able to run collective variables but when trying to run eABF it
> gives an error. Kindly have a look at the attached input file and suggest.
>
> Many thanks
>
>

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