This file was made on July 25, 2002 How to build GAMESS version 3 JUL 2003 (R1) with CHARMM: This is example for gnu platforms, but it should work with others, too. 1. run install.com gnu medium M X Q This way one obtains appropriate compile directory structure 2. unpack and untar the charmm-gamess-patches.tar.gz file 3. copy blur.src ddi.src to source/gamint directory 4. copy gukini.src to source/gukint directory 5. copy all gamess/source files from GAMESS distribution to source/gamint/gamess 6. overwrite files from this gamess directory to source/gamint/gamess 7. copy gamess.fcm to the source/fcm directory 8. delete the following files from source/gamint/gamess: ddi.src, ddiga.src, ddikick.c, ddishm.src, ddisoc.c, vector.src 9. cd tool 10. setmk.com gnu # or whatever your platform is 11. If you are on Linux (or using GNU compilers) you may copy Makefile_gnu to build/gnu and pre.dat-for-gnu to build/gnu/pref.dat I also provide MPICH library in mpi directory, which should be copied to build/gnu/mpi 12. rm -r lib 13. install.com gnu # or whatever your platform is Depending on the CHARMM version you may experience some name clashes, ie the subroutine has the same name in the CHARMM and in the GAMESS. The fix is simply to rename the subroutines and corresponding calls in one of the programs.