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

David spoel at xray.bmc.uu.se
Wed Feb 26 22:02:30 CET 2003

On Wed, 2003-02-26 at 21:15, curtchr1 at iit.edu wrote:
> 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.'

you need all the matching files in the same dir. (.rtp, .atp, .hdb etc.)

> -Chris Curtis
> Illinois Institute of Technology
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Groeten, David.
Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel

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