[gmx-users] do_dssp version error

[Samith Rathnayake]

thank you

I really appreciate if anyone can tell me simple and step-by step
solution


thank you


regards

samith


On Mon, Sep 12, 2016 at 7:09 PM, Sarath Chandra <
sarathchandradantu at gmail.com> wrote:

> dssp by default gets installed as mkdssp.
>
> Do an export DSSP=path_to_mkdssp_executable
>
> and it will worl
>
> On 12 September 2016 at 18:01, Samith Rathnayake <samithzzz1 at gmail.com>
> wrote:
>
> > Dear all
> >
> > When i'm run the do_dssp command in the gromacs
> >
> > do_dssp -f ../run01/run01.trr -s ../run01/run01.tpr -sc scount.xvg -o
> > ss.xpm -dt 10 -ver 2
> >
> > i got this error
> >
> > There are 455 residues in your selected group
> > dssp cmd='/usr/local/bin/dssp -i dd5J9xcr -o ddPd7b8G > /dev/null 2>
> > /dev/null'
> > trn version: GMX_trn_file (single precision)
> > Reading frame       0 time    0.000
> > Back Off! I just backed up dd5J9xcr to ./#dd5J9xcr.1#
> >
> > -------------------------------------------------------
> > Program do_dssp, VERSION 4.6.5
> > Source code file: /home/samith/gromacs-4.6.5/src/tools/gmx_do_dssp.c,
> > line:
> > 669
> >
> > 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
> >
> > thank you
> >
> > regards
> > samith
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