[gmx-users] How to modify FF.dat?

curtchr1 at iit.edu curtchr1 at iit.edu
Wed Feb 26 21:15:17 CET 2003


Sorry if this is in an FAQ somewhere, and if so, please point me in the
appropriate direction, but, aside from the file name, what other formating
procedures do I need to keep in mind if I wish to edit FF.dat, usually found
in:

/usr/local/gromacs/share/top/

Ex: I wish to include ffG50a1.itp, so in FF.dat I add:

ffG50a1 Gromacs (Description)

Does it matter whether I write Gromacs or Gromos96, and are there any other
script files I need to edit for this to work.  Thanks for anyone's time.

-Chris Curtis
Illinois Institute of Technology






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