google-code-export / nmrrestrntsgrid

Automatically exported from code.google.com/p/nmrrestrntsgrid
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Processing failed at assign stage #100

Closed GoogleCodeExporter closed 9 years ago

GoogleCodeExporter commented 9 years ago
processed this entry with the NRG31. The process failed and gave error at
assign stage. 

Start guessing.
  assign
ERROR 2o7w found in assign log file
Finished

Original issue reported on code.google.com by junf...@gmail.com on 13 Aug 2008 at 7:06

GoogleCodeExporter commented 9 years ago
Actually a bug in wattos. Reading the STAR file before the restraints file will 
throw restraints away. Look in detail 
at 2jvf.

Original comment by schulte....@gmail.com on 13 Aug 2008 at 9:17

GoogleCodeExporter commented 9 years ago
Corrected entry label

Original comment by schulte....@gmail.com on 13 Aug 2008 at 9:24

GoogleCodeExporter commented 9 years ago

Original comment by jurge...@gmail.com on 14 Aug 2008 at 2:36

GoogleCodeExporter commented 9 years ago

Original comment by schulte....@gmail.com on 21 Aug 2008 at 6:34

GoogleCodeExporter commented 9 years ago

Original comment by jurge...@gmail.com on 2 Sep 2008 at 11:22

GoogleCodeExporter commented 9 years ago
Dang, can't reproduce on my macbook for 2jvf.

Original comment by jurge...@gmail.com on 2 Sep 2008 at 11:53

GoogleCodeExporter commented 9 years ago

Original comment by jurge...@gmail.com on 2 Sep 2008 at 11:53

GoogleCodeExporter commented 9 years ago
Ok, fixed for entry 2o7w; was a problem with absence of sorting which caused an 
ERROR message to be written 
by Wattos after which NRG refused to continue.
Will update on tang after this weeklies.

Original comment by jurge...@gmail.com on 2 Sep 2008 at 12:23

GoogleCodeExporter commented 9 years ago

Original comment by jurge...@gmail.com on 30 Sep 2008 at 3:10