[gmx-users] Fwd: Lysosyme in water

[RAHUL SURESH]

gmx editconf -f 1AKI_processed.gro -o 1AKI_newbox.gro -c
-d 1.0 -bt cubic

Try the above command


On Mon, 5 Jun 2017 at 10:16 AM, shivanigupta.gupta6 at gmail.com <
shivanigupta.gupta6 at gmail.com> wrote:

> Dear Gromacs
>
> I am new and a beginner to this system. I am trying to learn through
> tutorials for version 5. When i performed i got the following error .
> [shivani at POLY3 tut1]$
> -bash: editconf: command not found
> [shivani at POLY3 tut1]$ gmx editconf -f 1AKI_processed.gro -o
> 1AKI_newbox.gro
> -c -d 1.0 -bt cubic
> -bash: gmx: command not found
> [shivani at POLY3 tut1]$ gmx_mpi  editconf -f 1AKI_processed.gro -o
> 1AKI_newbox.gro -c -d 1.0 -bt cubic
> -bash: gmx_mpi: command not found
> [shivani at POLY3 tut1]$ gmpp  editconf -f 1AKI_processed.gro -o
> 1AKI_newbox.gro -c -d 1.0 -bt cubic
> -bash: gmpp: command not found
> [shivani at POLY3 tut1]$ ls
> 1AKI.pdb  1AKI_processed.gro  posre.itp  topol.top
> [shivani at POLY3 tut1]$ ll
> total 812
> -rw-rw-r-- 1 shivani shivani 116316 Jun  1 15:24 1AKI.pdb
> -rw-rw-r-- 1 shivani shivani  98776 Jun  1 15:10 1AKI_processed.gro
> -rw-rw-r-- 1 shivani shivani  31304 Jun  1 15:10 posre.itp
> -rw-rw-r-- 1 shivani shivani 576928 Jun  1 15:10 topol.top
> [shivani at POLY3 tut1]$
>
> Can you help me in fixing the same .
>
> Thanks
> Regards
> Shivani
> --
> 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.
>
-- 
*Regards,*
*Rahul Suresh*
*Research Scholar*
*Bharathiar University*
*Coimbatore*