s lal badshah wrote:
Dear Mark,
When I enter from root account the following is the result:
linux:~ # which mdrun
/sbin/mdrun
linux:~ # which grompp
/usr/bin/grompp
linux:~ #
But from user account the
which mdrun
usr/bin/mdrun
and also the
which grompp
/usr/bin/grompp
occured.
Actually I have very little experience with linux.I install VMD which
didn't open in user account but opened only in root account so I do MD
simulation in root accounts.If I do Md simulation from user account is
this problem arises or not? Is there any command so that mdrun also
operate in root account? A few mentioned in past mails archive of
gromacs didn't work as I used them.
Don't ever use the root account for daily usage. It's like driving your
car while you haven't finished major maintenance.
If you follow the VMD installation instructions properly, it will work
from user accounts, as with any other decent software. You should fix
the cause of the VMD problem, or you'll only create more problems for
yourself - such as the above. That said, you'll probably struggle to
actually fix the existing consequences of your root usage... so
re-installing the OS and starting again is a serious option.
These problems have nothing to do with GROMACS, so you should consider
alternative sources of information on the web.
Mark
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