Re: fatal error running namd on Mac

From: Aron Broom (broomsday_at_gmail.com)
Date: Tue Apr 10 2012 - 18:04:25 CDT

not likely to work, but what if you take out the periods? Also, is the
file a proper ASCII file? I noted odd problems with things sometimes when
using MAC and/or Windows.

On Tue, Apr 10, 2012 at 6:53 PM, Jiao, Dian NMN (-EXP) <dnjiao_at_sandia.gov>wrote:

> Hi all,
>
> I got this error running namd for the first time on my mac:
>
> ERROR: Could not translate the value '98. 0. 0.'
> ERROR: into a Vector for the option 'cellBasisVector1'
> ERROR: Could not translate the value '0. 98. 0.'
> ERROR: into a Vector for the option 'cellBasisVector2'
> ERROR: Could not translate the value '0. 0. 71.'
> ERROR: into a Vector for the option 'cellBasisVector3'
> FATAL ERROR: ERROR(S) IN THE CONFIGURATION FILE
>
> The same config file has been successfully used to run simulations under
> linux without any problem. Why can't these cell vectors be recognized on
> mac? It is the latest version 2.9 I am running.
>
> Dian
>

-- 
Aron Broom M.Sc
PhD Student
Department of Chemistry
University of Waterloo

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