[gmx-users] internal consistency warning in grompp not repeated at end of stderr output

Chris Neale chris.neale at utoronto.ca
Tue Apr 10 04:23:22 CEST 2007


I recently generated a new .top file and I accidentally missed the first 
line in the water position restraint section while pasting. Therefore I 
had water posre without wanting it.

First of all, I would like to point out that the gromacs error-checking 
is excellent since it was aware of this error and output a notice to stderr:

checking input for internal consistency...
my.top:9:2: #endif without #if

However, there is lots of output to stderr and this message could be 
improved if the existence of a warning was transmitted to the bottom of 
the output (as is done for many other warnings) e.g. notice of the 
warning as it occurs but additionally at the bottom of the output: 
"There was 1 warning"




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