[gmx-users] do_dssp

[Erik Lindahl]

Alan Wilter Sousa da Silva wrote:

> Thank you Erik,
>
> However we already have dssp working well and with the
> environmental variable set properly. What we need is:
>
> 'do_dssp'
>
> The one which came with GMX 3.0 seems to be with some bug.
> Would it be possible to get a debugged binary version of 'do_dssp'?
>

Hi,

The do_dssp program is basically just a (fancy) wrapper for dssp.
In case the binary in 3.0 doesn't work (I don't know why, but it seems some
have it working and other not), you might want to try the 3.1 beta where we
haven't had any problems this far. You can download RPMs from
ftp.gromacs.org:/pub/beta. If things go as planned we will have the sharp
release out on march 1.

There is an additional advantage with trying out the beta: Any bugs you find
and report to gromacs at gromacs.org (I think it's a good idea to keep the beta
separate from the mailing list) WILL be fixed in the final release - provided
they are confirmed as bugs, of course ;-)



Cheers,

Erik