[gmx-users] bash: genrestr: command not found

Peter Stern peter.stern at weizmann.ac.il
Thu Dec 10 11:02:42 CET 2015

This is a unix/linux problem, not a gromacs problem.
And as such, I strongly suggest that you not run such commands as root, but rather as an ordinary user.
Running commands as root, especially if you know little or no unix/linux can be very dangerous.
The problem is probably in your path.  The shell needs to know where the gmx executable is located.
There are several linux approaches to that, but for now, find out where gmx is installed, and do the following:
export GMXDIR="location of gmx executable"

Then it should work.

Peter Stern

-----Original Message-----
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se [mailto:gromacs.org_gmx-users-bounces at maillist.sys.kth.se] On Behalf Of Puneet
Sent: Thursday, December 10, 2015 11:17 AM
To: gromacs.org_gmx-users at maillist.sys.kth.se
Subject: [gmx-users] bash: genrestr: command not found



I am using command 

"genrestr -f jz4.gro -o posre_jz4.itp -fc 1000 1000 1000" for Restraining the Ligand but I am facing following error

[root at localhost AD]# gmx genrestr -f lig.gro -o lig.itp -fc 1000 1000 1000

bash: gmx: command not found

[root at localhost AD]#  genrestr -f lig.gro -o lig.itp -fc 1000 1000 1000

bash: genrestr: command not found


Kindly tell me where is the problem. Please reply me as soon as possible.


Thanks in advance


Gromacs Users mailing list

* Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!

* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

* For (un)subscribe requests visit
https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org.

More information about the gromacs.org_gmx-users mailing list