[gmx-users] Error of mdrun

s lal badshah shahbiochemist at yahoo.com
Sat Apr 19 13:12:27 CEST 2008


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.
Regards,
Lal badshah.

 Send instant messages to your online friends http://uk.messenger.yahoo.com 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20080419/5a0a655d/attachment.html>


More information about the gromacs.org_gmx-users mailing list