[gmx-users] DSSP

Mariusz Wierzbowski mariuszmw at gumed.edu.pl
Thu May 25 18:08:28 CEST 2017


I would like to analyze secondary structure elements for my protein. I want 
to do it with do_dssp command in gromacs. I am using gromacs on a plgrid 
platform. The problem is that an error occurs:

Fatal error: DSSP executable (/opt/dssp/bin/dssp) does not exist (use setenv 

On other forums I have read about setting the environment with setenv or 
export DSSP
but I think that these solutions are for programs on local system.

I would appreciate any help. Thanks.

Best regards


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