[gmx-users] Failed to execute command: Try specifying your dssp version with the -ver option.

[Mark Abraham]

Hi,

I would avoid using gmx_mpi for this - MPI processes launching new programs
is not necessarily supported by your MPI library. Otherwise, please follow
the gmx do_dssp -h

Mark

On Tue, 28 Feb 2017 09:23 Erik Marklund <erik.marklund at kemi.uu.se> wrote:

> Dear Atila,
>
> Have you confirmed that your dssp is working?
>
> Kind regards,
> Erik
> ______________________________________________
> Erik Marklund, PhD, Marie Skłodowska Curie INCA Fellow
> Department of Chemistry – BMC, Uppsala University
> +46 (0)18 471 4539
> erik.marklund at kemi.uu.se<mailto:erik.marklund at kemi.uu.se>
>
> On 28 Feb 2017, at 07:11, Andrew Bostick <andrew.bostick1 at gmail.com
> <mailto:andrew.bostick1 at gmail.com>> wrote:
>
> Dear Gromacs users,
>
> I did MD simulation of my peptide on Gromacs 5.1.3. I want to do do_dssp
> analysis.
>
> After using following command:
>
> gmx_mpi do_dssp -f *.xtc -s *.tpr -n index.ndx -o -sc
>
> Fatal error:
> Failed to execute command: Try specifying your dssp version with the -ver
> option.
>
> According to the manuall for gmx do_dssp, I used following command:
>
> gmx_mpi do_dssp -f *.xtc -s *.tpr -n index.ndx -o -sc -ver 2
>
> But, again:
>
> Fatal error:
> Failed to execute command: Try specifying your dssp version with the -ver
> option.
>
> How to fix it?
>
> Any help will highly be appreciated.
>
> Best,
> Atila
> --
> 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<mailto:
> gmx-users-request at 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-request at gromacs.org.