Re: [cellulose-builder: 5] ERROR: Could not determine number of fragments.

[Thiago Gomes]

Dear Lakshmi,

I am very happy to help. Please find attached a modified version I have set up for debugging.

Could you please run this modified version on your system and send me back the following files:

frag.log

nfrag.pl

Best Regards,

Thiago C. F. Gomes

2012/9/26 lakshmi kanthi <lakshmi....@gmail.com>

Hi

I recently downloaded a copy of cellulose-builder code (Version May 2012).  While running the code, I get the following error.

ERROR: Could not determine number of fragments.

I happened to check the mailing list and the four files that had asked to send in the mailing list, were not generated in my case.  Could you please help me get rid of the bug?

Thanks

Lakshmi

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[Thiago Gomes]

Dear Lakshmi,

I forgot to mention an important detail. Please run for phase I-beta (i. e. leave file input.inp as it is) with the following command line:

$ ./cellulose-builder fibril 5

We will start trying to debug for cellulose I-beta, if it works I will implement similar corrections for the other allomorphs and release a new version.

Thank you very much for reporting this bug!

Best Regards,

Thiago C. F. Gomes

2012/9/26 Thiago Gomes <tgo...@iqm.unicamp.br>

[Thiago Gomes]

Dear Lakshmi,

if you happen to obtain a file named crystal.xyz please send me that one too.

Thanks,

Thiago

[lakshmi kanthi]

Hi

These are the files that you had asked me to send.

Thanks

Lakshmi

On Wed, Sep 26, 2012 at 2:09 PM, lakshmi kanthi <lakshmi....@gmail.com> wrote:

Hi

I recently downloaded a copy of cellulose-builder code (Version May 2012).  While running the code, I get the following error.

ERROR: Could not determine number of fragments.

I happened to check the mailing list and the four files that had asked to send in the mailing list, were not generated in my case.  Could you please help me get rid of the bug?

Thanks

Lakshmi

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cheers!
laksh

[Thiago Gomes]

Hi Lakshmi,

it seems like your VMD might not be correctly installed.

The file you have sent me frag.log contains the following line:

"/home/lmuthuku/vmd/lib/vmd/vmd_LINUX: Command not found."

Could you please check on this?

If one installs vmd without removing an existing previous installation, for instance, there might be problems with vmd.

Did you get the file crystal.xyz ? If you did, could you please send it to me also ?

If you do have the file crystal.xyz, please test whether you can load it on vmd (  $  vmd crystal.xyz  )

Thanks,

Thiago.

2012/9/26 lakshmi kanthi <lakshmi....@gmail.com>