[gmx-users] New DSSP vs do_dssp (gromacs-4.5.4)

lina lina.lastname at gmail.com
Thu Oct 13 16:33:32 CEST 2011

On Thu, Oct 13, 2011 at 5:16 PM, Ahmad Randy <run_d47 at yahoo.com> wrote:

> Hi All,
> I understand that there were already some discussions about new DSSP exec
> with do_dssp in gromacs-4.5.4. I just want to make clear, is it true that
> this two DSSP and do_dssp do not compatible each other?
> I was running in Ubuntu 10.04, and this is what I got:
>             do_dssp -f 300K.trr -s 300K.tpr -o dssp
> I choose 5 'Mainchain'
>             Fatal error:
>             Failed to execute command: /home/madndy/dssp/dssp -na ddkbeHeQ
> ddvDjL4J > /dev/null 2> /dev/null
> I already set the "export DSSP=/home/madndy/dssp/dssp", and also try the
> latest do_dssp.c (from gromacs-4.6) file for instalation. Still didn't work.
> Are there are any suggestion or correction in my step? Or what version of
> gromacs that work well with DSSP? Or should I get the older version of DSSP
> that work with do_dssp? And where can I find the older version of DSSP
> because I can't find the older version in:
> http://swift.cmbi.ru.nl/gv/dssp/ .


You may click above link (untested, be careful).

> Thanx,
> Randy
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