[gmx-users] setenv DSSP
Patricia Soto
soto at chem.rug.nl
Thu Jun 6 14:46:28 CEST 2002
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/
but when I do this and then do_dssp_d I get empty files like:
ddMEb4LR
ddv0JpsL
#ddv0JpsL.1#
Then, I do not understand to where I should set the variable DSSP or I do
not understand the initial message.
What should I do?
Thanks for any help,
Patricia.
--
Drs. Patricia Soto
Biofysische Chemie Telefoon: 31.50.3634329
Rijksuniversiteit Groningen Fax: 31.50.3634800
Nijenborgh 4 9747 AG Groningen email: P.Soto at chem.rug.nl
Nederland http://md.chem.rug.nl/~soto/soto.html
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