[gmx-users] DSSP

Vidya R vidyadevi2811 at gmail.com
Tue Dec 5 15:41:34 CET 2017


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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