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
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