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 <simoncks1...@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.henriq...@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 <
> > simoncks1...@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
> > > --
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