[gmx-users] dssp and gromacs version

[João Henriques]

Gromacs' 4.5.5 do_dssp is broken. There is a patch for it in git. I haven't
tried it out, so I can't say for sure it works. This is not a DSSP problem,
it's a Gromacs problem. Just to reinforce the idea, the new DSSP should not
be used, no matter which Gromacs version you're using.

Best regards,
Joao Henriques


On Fri, Mar 2, 2012 at 9:10 AM, lina <lina.lastname at gmail.com> wrote:

> On Fri, Mar 2, 2012 at 3:55 PM, Mark Abraham <Mark.Abraham at anu.edu.au>
> wrote:
> > On 2/03/2012 6:52 PM, lina wrote:
> >>
> >> Hi,
> >>
> >> is the old dssp not compatible with the gromacs 4.5.5 ?
> >>
> >> I am confused,
> >>
> >> Thanks,
> >>
> >> Best regards,
> >
> >
> > The new DSSP is not compatible with any GROMACS
>
> Ha ... the dssp complain the segmentation fault in 4.5.5, but can run
> smoothly in 4.5.3.
>
> IIRC, seems there were some threads talked about that before.
>
> >
> > Mark
> > --
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-- 
João Henriques
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