[gmx-users] do_dssp error

Mark Abraham mark.abraham at anu.edu.au
Thu Apr 27 09:22:45 CEST 2006


> Hi,
>   I have a problem with do_dssp command. When I ran it, I found this fatal
> error “ DSSP executable </usr/local/bin/dssp> does not exist. Then I
> used from setenv DSSP command, but I found this error “setenv is not
> recognized as an internal or external command,..”

You need to have DSSP installed and to know where it is and to set up
whatever environment variables do_dssp requires. If I recall correctly,
setenv only works for tcsh, you appear to be using another shell, probably
bash. Either change shells or find out the correct command to set an
environment variable.

Mark




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