[gmx-users] DSSP

[João Henriques]

Did you specify the DSSP version as the error message suggests? DSSP
version 2 has different syntax from the previous one. On the gromacs 5.1.4
do_dssp assumes that you're using version 2, but maybe yours is version 1.

P.S.: I am assuming you have done everything else correctly, i.e., you have
a working DSSP executable and you have exported that executable path as
$DSSP.

J

On Tue, Dec 5, 2017 at 3:41 PM, Vidya R <vidyadevi2811 at gmail.com> wrote:

> I got the error
>
> dssp cmd='/usr/local/bin -i ddpEbgmY -o ddtFRo32 > /dev/null 2> /dev/null'
> Reading frame       0 time    0.000
> Back Off! I just backed up ddpEbgmY to ./#ddpEbgmY.1#
>
> -------------------------------------------------------
> Program gmx do_dssp, VERSION 5.1.4
> Source code file:
> /cygdrive/d/software/GROMACS/gromacs-5.1.4/src/gromacs/gmxana/
>
> gmx_do_dssp.c, line: 663
>
> Fatal error:
> Failed to execute command: Try specifying your dssp version with the -ver
> option                                                          .
>
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
>
>
> On Tue, Dec 5, 2017 at 6:36 PM, João Henriques <
> joao.m.a.henriques at gmail.com
> > wrote:
>
> > Hi!
> >
> > This is not so much for you as it is for the other users and developers.
> I
> > think I found a problem with the DSSP code when compiling using the
> latest
> > boost version (1.65.1). "tr1/tuple.hpp" cannot be found within the
> > "include" directory of this new boost, and the compilation fails. The
> error
> > is reproducible if you instead use homebrew to install DSSP.
> >
> > I've emailed Maarten at "m.hekkelman at cmbi.ru.nl" but I'm not sure this
> > email is active anymore. Hopefully it is, otherwise please let me know.
> >
> > Best regards,
> > J
> >
> > On Tue, Dec 5, 2017 at 6:38 AM, Vidya R <vidyadevi2811 at gmail.com> wrote:
> >
> > > Hi gromacs users,
> > >
> > > I use gromacs 5.1.4 in *cygwin* (OS windows 7, 64 bit.)
> > >
> > > I want to download and install dssp tool.
> > >
> > > How to proceed?
> > >
> > >
> > > Thanks,
> > > Vidya.R
> > > --
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