Chris Neale wrote:
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
this actually seems to be a message from cpp, therefore it is not
counted in the normal warning system. Unless we implement our own
baby-cpp it will be quite tedious to catch the warnings and error
messages from it.
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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--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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