[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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