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.
--
gmx-users mailing list [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [email protected].
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
