[gmx-users] DSSP

[bipin singh]

check the permissions of dssp executables and give the execute permission
if it is not already.



*------------------------Thanks and Regards,Bipin Singh*


On Mon, Aug 25, 2014 at 6:26 PM, Nikolaos Michelarakis <nm884 at york.ac.uk>
wrote:

> Yes, this is the command i am using:
>
> do_dssp -s npt-nopr.tpr -f npt-nopr.trr -o fws-ss.xpm -ver 2
>
> whether i include -ver 2 or not makes no difference, I still get the same
> error.
>
> Cheers,
>
> Nicholas
>
>
> On 25 August 2014 15:53, Mark Abraham <mark.j.abraham at gmail.com> wrote:
>
> > Have you read and followed gmx do_dssp -h?
> >
> > Mark
> >
> >
> > On Mon, Aug 25, 2014 at 2:21 PM, Nikolaos Michelarakis <nm884 at york.ac.uk
> >
> > wrote:
> >
> > > Hello,
> > >
> > > Thank you all for your help! I got it working by downloading the
> > > executables directly and setting the path but i do get the
> > >
> > > Program do_dssp, VERSION 5.0
> > > Source code file:
> > >
> > >
> >
> /home/jslatter/programs/gromacs/gromacs-5.0/src/gromacs/gmxana/gmx_do_dssp.c,
> > > line: 670
> > >
> > > Fatal error:
> > > Failed to execute command: Try specifying your dssp version with the
> -ver
> > > option.
> > >
> > > error. No matter which version i specify, it persists, any ideas?
> > >
> > > Cheers,
> > >
> > > Nicholas
> > > --
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