Pallavi-Banerjee21 / votca

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votca-csg tutorial error #130

Closed GoogleCodeExporter closed 8 years ago

GoogleCodeExporter commented 8 years ago
I found the error message when I am running the sample in 
csg-tutorials/propane/ibi_espresso installed in VOTCA-CSG 1.2.3. For details 
please check in the attach file(error.doc). Anyone can help me? Thanks!

Original issue reported on code.google.com by 75429...@qq.com on 7 Jan 2013 at 12:48

Attachments:

GoogleCodeExporter commented 8 years ago

Original comment by christop...@gmail.com on 8 Jan 2013 at 3:12

GoogleCodeExporter commented 8 years ago
I guess, this is a problem with the recent version of Espresso, verlet_flag in 
the blockfile (conf.esp.gz) does not exist anymore. Try to fix the initial 
condition by:
$ gunzip conf.esp.gz 
$ sed -i '/verlet_flag/d' conf.esp 
$ gzip conf.esp 

Does it help?

Original comment by christop...@gmail.com on 8 Jan 2013 at 4:21

GoogleCodeExporter commented 8 years ago
Hi Christoph,

I'm at a conference right now--I'll try to have a look at it at some point.

Happy New Year.

Best,
Tristan

Original comment by tristan....@gmail.com on 9 Jan 2013 at 5:40

GoogleCodeExporter commented 8 years ago
This issue was closed by revision 3824b57b1aca.

Original comment by christop...@gmail.com on 2 Feb 2013 at 1:19

GoogleCodeExporter commented 8 years ago
Hi Christoph,

Looks like you beat me to it! I had kept it in the back of my mind,
but hadn't gotten around to installing votca.

Best,
Tristan

Original comment by tristan....@gmail.com on 2 Feb 2013 at 9:31

GoogleCodeExporter commented 8 years ago
Issue 132 has been merged into this issue.

Original comment by jungh...@votca.org on 17 Jun 2013 at 3:55