[gmx-users] custom version of ffgmx* files
Valentin Gogonea
v.gogonea at csuohio.edu
Tue Jun 25 16:44:56 CEST 2002
Dear Gromacs users,
I am trying to run gromacs at NCSA Supercomputer Center (University of
Illinois) but I need to use custom made ffgmx* files. I know that you
can modify ffgmx.itp, but I cannot actually modify this file because I
do not have writing permission (is owned). I doubt that the sys admin
will modify it for me because it is shared by other users too. Is there
any way (environment variable?) to change the directory (at NCSA:
/usr/apps/chemistry/gromacs/share/top) from where the ffgmx.itp file is
read?
Thank you for your help.
Valentin
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