[gmx-users] do_dssp error

[Miguel Ortiz Lombardia]

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Hi Jahan,

First, you must make sure you have the dssp program; it doesn't come
with gromacs, but you can download it separately from:

http://swift.cmbi.ru.nl/gv/dssp/

Secondly, if 'setenv' is not working you are not on a csh/tcsh shell. Try:

export DSSP=/path_to_your_dssp_installation/dssp

This should work if you are on a sh/bash shell.


HTH,


Miguel


jahanshah ashkani wrote:
> 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,..?
> I would be glad if you help me in this case.
> Thank you very much.
>  
> Sincerely yours,
> Jahan
> 
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- --
Miguel Ortiz Lombardía
Centro de Investigaciones Oncológicas
C/ Melchor Fernández Almagro, 3
28029 Madrid, Spain
Tel. +34 912 246 900
Fax. +34 912 246 976
email: molatwork at yahoo.es
www: http://www.ysbl.york.ac.uk/~mol/
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Je suis de la mauvaise herbe,
Braves gens, braves gens,
Je pousse en liberté
Dans les jardins mal fréquentés!
                                                       Georges Brassens
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