[gmx-users] setenv DSSP

[Erik Lindahl]

On Thu, 2002-06-06 at 05:46, Patricia Soto wrote:
> 
> Hello people,
> I have troubles to run dssp with my local gromacs (double precision).
> When I try to use:
> 
> do_dssp_d -f traj.trr -s topol.tpr
> 
> I get the message:
> 
> Fatal error: DSSP executable (/usr/local/bin/dssp) does not exist (use
> setenv DSSP)
> 
> Then I tried to  set the environment to the directory where I installed
> my local version of gromacs:
> 
> setenv DSSP /mydirectory/GD/bin/

Hi Patricia,

DSSP is a separate program, so the environment variable should point to
the DSSP executable (not a directory).

Since you're in Groningen you could also compile the my_dssp program
from the contrib directory - this includes the dssp source in the
program, but we cannot redistribute that for copyright reasons.

Cheers,

Erik