The directory tree for the build is as follows: Top_level | +-dist (a directory to hold the compiled gromacs binary tree: | ftp://ftp.gromacs.org/pub/gromacs/gromacs-3.3.2.tar.gz) | +-mcpp (mcpp binary distribution which can be gotten from: http://mcpp.sourceforge.net/download.html ReadMe.html,License.txt and GMX_installer.nsi should all reside in the top level directory --==compiling gromacs from original sources==-- - Untar the sources into a temporary directory. - Make the following modifications: * comment out the eof() function in include/futil.h and src/gmxlib/futil.c   * add #undef HAVE_UNISTD_H right before #ifdef HAVE_UNISTD_H in src/gmxlib/statutil.c,main.c   * comment out blocks and lines with SIGUSR1 references in src/kernal/md.c - re-make the tar as gromacs-3.3.3-modified.tar.gz - copy that tar file into C:\modified_sources - You are now ready to run the build script located in the packaging directory