[gmx-users] modify bondfree.c and recompile
Mark.Abraham at anu.edu.au
Wed Oct 22 02:57:46 CEST 2008
Jian Zou wrote:
> If I only change some functional form in bondfree.c (the number of
> parameters are kept the same), can I just do "make mdrun" and "make
> install-mdrun" to recompile from the source?
> I cannot find the dependency between the source files and the Gromacs
> utilities (grompp and mdrun).
It's there in the Makefiles, but you don't need to know about it. Just
use make (or just make mdrun) from the top-level source directory.
> I compare the tpr file generated before and after the change and they
> are the same. Therefore it seems to me that grompp does not read the
> formulation of bonded interactions, am I right?
grompp isn't changing, so its output is the same. All it does is
interpret the contents of your .top file and tell mdrun which function
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