[gmx-users] do_dssp

Justin A. Lemkul jalemkul at vt.edu
Wed Jan 6 13:04:14 CET 2010

On 1/6/10 6:57 AM, rasoul nasiri wrote:
> Then your executable has problem. Gromacs tool can not find DSSP for
> doing d_dssp. Do you put executable DSSP in the path of gromacs is
> installed?

This is not necessary.  One needs to set the environment variable DSSP 
correctly, since the default location that do_dssp expects is 
/usr/local/bin/dssp, not anything to do with the location of Gromacs.


> Rasoul.
> On Wed, Jan 6, 2010 at 11:58 AM, leila karami <karami.leila1 at gmail.com
> <mailto:karami.leila1 at gmail.com>> wrote:
>     dear Rasoul
>     I had executable dssp program, already.
>     leila karami
>     --
>     gmx-users mailing list gmx-users at gromacs.org
>     <mailto:gmx-users at gromacs.org>
>     http://lists.gromacs.org/mailman/listinfo/gmx-users
>     Please search the archive at http://www.gromacs.org/search before
>     posting!
>     Please don't post (un)subscribe requests to the list. Use the
>     www interface or send it to gmx-users-request at gromacs.org
>     <mailto:gmx-users-request at gromacs.org>.
>     Can't post? Read http://www.gromacs.org/mailing_lists/users.php


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


More information about the gromacs.org_gmx-users mailing list