Hii Peter Thank you for your valuable suggestion. I will check and ask you again whether it is working or not.
Regards Puneet -----Original Message----- From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se [mailto:gromacs.org_gmx-users-boun...@maillist.sys.kth.se] On Behalf Of gromacs.org_gmx-users-requ...@maillist.sys.kth.se Sent: 10 December 2015 16:30 To: gromacs.org_gmx-users@maillist.sys.kth.se Subject: gromacs.org_gmx-users Digest, Vol 140, Issue 38 Send gromacs.org_gmx-users mailing list submissions to gromacs.org_gmx-users@maillist.sys.kth.se To subscribe or unsubscribe via the World Wide Web, visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or, via email, send a message with subject or body 'help' to gromacs.org_gmx-users-requ...@maillist.sys.kth.se You can reach the person managing the list at gromacs.org_gmx-users-ow...@maillist.sys.kth.se When replying, please edit your Subject line so it is more specific than "Re: Contents of gromacs.org_gmx-users digest..." Today's Topics: 1. Re: bash: genrestr: command not found (Peter Stern) ---------------------------------------------------------------------- Message: 1 Date: Thu, 10 Dec 2015 10:02:37 +0000 From: Peter Stern <peter.st...@weizmann.ac.il> To: "'gmx-us...@gromacs.org'" <gmx-us...@gromacs.org> Subject: Re: [gmx-users] bash: genrestr: command not found Message-ID: <9B479B1E75CB414487F6812A62434B24B4784190@IBWMBX04> Content-Type: text/plain; charset="us-ascii" 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" source $GMXDIR/GMXRC Then it should work. Regards, Peter Stern -----Original Message----- From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se [mailto:gromacs.org_gmx-users-boun...@maillist.sys.kth.se] On Behalf Of Puneet Sent: Thursday, December 10, 2015 11:17 AM To: gromacs.org_gmx-users@maillist.sys.kth.se Subject: [gmx-users] bash: genrestr: command not found Hello 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@localhost AD]# gmx genrestr -f lig.gro -o lig.itp -fc 1000 1000 1000 bash: gmx: command not found [root@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 Puneet -- 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-requ...@gromacs.org. ------------------------------ -- 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-requ...@gromacs.org. End of gromacs.org_gmx-users Digest, Vol 140, Issue 38 ****************************************************** -- 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-requ...@gromacs.org.
