[gmx-users] GROMACS 5.1.4 and dssp 2.2.1

[Mark Abraham]

Hi,

gmx do_dssp -h

says everything there is to say about how to get this to work. I've no idea
what mkdssp is, but unless it does the same things as dssp, it won't work.

Mark

On Tue, Mar 13, 2018 at 9:56 AM Simon Kit Sang Chu <simoncks1994 at gmail.com>
wrote:

> Hi João,
>
> Thanks for your suggestion. Unfortunately, the error persists. I thought
> -ver 2 was the default value.
>
> Regards,
> Simon
>
> 2018-03-13 15:58 GMT+08:00 João Henriques <joao.m.a.henriques at gmail.com>:
>
> > "Fatal error: Failed to execute command: Try specifying your dssp version
> > with the -ver option."
> >
> > Did you follow the error message suggestion? With DSSP 2.2.1 you need to
> > set "-ver 2" on your gmx do_dssp command.
> >
> > J
> >
> > On Tue, Mar 13, 2018 at 8:45 AM, Simon Kit Sang Chu <
> > simoncks1994 at gmail.com>
> > wrote:
> >
> > > Hi everyone.
> > >
> > > I am trying to run do_dssp with GROMACS 5.1.4 and dssp 2.2.1. It
> returned
> > > an error:
> > >
> > >
> > > Fatal error:
> > > Failed to execute command: Try specifying your dssp version with the
> -ver
> > > option.
> > >
> > >
> > > I can run mkdssp and it is placed in bin. Is it a compatibility problem
> > > here?
> > >
> > > Thanks in advance.
> > >
> > > Regards.
> > > Simon
> > > --
> > > 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.
> > >
> > --
> > 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.
> >
> --
> 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.