Re: fatal error running namd on Mac

From: johan strumpfer (johanstr_at_ks.uiuc.edu)
Date: Tue Apr 10 2012 - 19:05:26 CDT

This is a known issue on the mac. Either remove the periods or add
zeros after the periods and it should work.

Cheers,
Johan

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Johan Strumpfer:         johanstr_at_ks.uiuc.edu        www.ks.uiuc.edu/~johanstr
Ph.D. Candidate
Theoretical and Computational Biophysics Group
3115 Beckman Institute
University of Illinois at Urbana-Champaign
405 N. Mathews
Urbana, IL 61801, USA
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On Tue, Apr 10, 2012 at 7:04 PM, Aron Broom <broomsday_at_gmail.com> wrote:
> 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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