[gmx-users] adding of a new force field in gromacs 4.5.1

mina Madah mina.maddah at yahoo.com
Sun Jan 23 11:15:28 CET 2011

Dear all
I made parameters of my force field for BCN by own that contains  :
.atp  .rtp  .itp  .n2t  files and put these files in working directory when I used
 g_x2top  -f conf.gro  -o  -ff command for generating top file faced with this error :
Expected a string argument for option -ff

then I deleteed files relating to charm force field and I copied them (my force field files) in charm.ff  in  ... /share/gromacs/top and use g_x2top but charmm force field was deleted from list.
in older version of gromacs such as 4.0.7, there was a file named FF.dat in which there are a list of force field being in top directory, while there is not FF.dat file in 4.5 version of gromacs. thus, if I want to add a new force field to top directory (as I can use it for g_x2top -ff), how to do that? 
 any help will highly appreciated.

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