[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"
More information about the gromacs.org_gmx-users
mailing list