[gmx-users] do_dssp

[w.j.schravendijk at students.pharm.uu.nl]

> do_dssp works in the CVS version now - we'll put out a beta asap; there are only
> one or two minor things for David to commit.
> Cheers,
> Erik

In the meantime: the error: 'Fatal error: /tmp/fileKpIg5h does not exist'
will only pop-up if you have used an incomplete setenv command.
If, for example, your version of dssp is in /usr/local/gromacs/bin/dssp,
then:

 setenv DSSP /usr/local/gromacs/bin/dssp

then do_dssp will work fine, while:

 setenv DSSP /usr/local/gromacs/bin/

will give the 'Fatal error' mentioned above.

The versions that can be downloaded at http://www.cmbi.kun.nl/gv/dssp/ are
named 'dsspcmbi' and should be renamed to 'dssp' or the setenv command
should point to /usr/local/gromacs/bin/dsspcmbi (if it is installed there)

Greetings, Pim



> > I am having the same problem with do_dssp that some people reported.
> > "Fatal error: /tmp/filegrVleD does not exist ". When I look in /tmp I can see
> > a file called /tmp/fileqeXERI with pdb content.