[gmx-users] do_dssp error

Miguel Ortiz Lombardia molatwork at yahoo.es
Thu Apr 27 16:40:28 CEST 2006


-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA1

Hi Jahan,

Sorry, I'm not a MSWindows user, so I can't help you here. I think you
can set up a global environment variable somewhere in your control
panel, but can't really tell you how.

Good luck,


Miguel

jahanshah ashkani wrote:
> Thanks for your reply.
> I used from Gromacs on WindowsXP with command prompt. How can I change
> DSSP path in this environment? Thank you very much.
>  
> Sincerely yours,
> Jahan
> 
> */Miguel Ortiz Lombardia <molatwork at yahoo.es>/* wrote:
> 
> 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 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
> 
> 
> ------------------------------------------------------------------------
>> Yahoo! Messenger with Voice. Make PC-to-Phone Calls
> 
>> to the US (and 30+ countries) for 2¢/min or less.
> 
> 
> 
> ------------------------------------------------------------------------
> 
>> _______________________________________________
>> gmx-users mailing list gmx-users at gromacs.org
>> http://www.gromacs.org/mailman/listinfo/gmx-users
>> Please don't post (un)subscribe requests to the list. Use the
>> www interface or send it to gmx-users-request at gromacs.org.
>> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
> 
> --
> 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
_______________________________________________
gmx-users mailing list gmx-users at gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-request at gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php

> ------------------------------------------------------------------------
> New Yahoo! Messenger with Voice. Call regular phones from your PC
> <http://us.rd.yahoo.com/mail_us/taglines/postman5/*http://us.rd.yahoo.com/evt=39666/*http://messenger.yahoo.com>
> and save big.


> ------------------------------------------------------------------------

> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php

- --
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
-----BEGIN PGP SIGNATURE-----
Version: GnuPG v1.4.1 (GNU/Linux)

iD8DBQFEUNfcF6oOrDvhbQIRAjsjAJ4qLYO+kYuafFeZ0qmkNi1wAjxMSQCgkSWE
TmlDk8MCNXVfjQeXwATvE5M=
=cAwL
-----END PGP SIGNATURE-----



More information about the gromacs.org_gmx-users mailing list