[gmx-users] GROMACS 5.1.4 and dssp 2.2.1

[Simon Kit Sang Chu]

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
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