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<br /></b>Dear Mark,
<br />
<br />On Mon, 11 Oct 2010 22:54:44 +1100, Mark Abraham wrote
<br />> -----
Original Message -----
<br />> From: Sunita Patel
<sunita@mailhost.tifr.res.in>
<br />> Date: Monday, October 11, 2010
22:50
<br />> Subject: [gmx-users] do_dssp failed to execute
<br />> To:
Discussion list for GROMACS users <gmx-users@gromacs.org>
<br />>
<br />>
> Dear User,
<br />> >
<br />> > I set the path for dssp executable in
.bashrc file. Still
<br />>
<br />> dssp in the path is probably not
sufficient. See
http://www.gromacs.org/Documentation/Gromacs_Utilities/do_dssp
<br />>
<br />I already seen this page and the dssp executable file is present in the specified location.
<br />I surprise why it was not working before. I freshly downloaded the dsspcmbi executable and rename it to dssp and gave executable file permission and it started working.
<br />
<br />I was doing like this earlier also. May be dssp executable was corrupted.
<br />Thanks,
<br />Sunita
<br />
<br />>
Mark
<br />>
<br />> > getting following
<br />> > error. Could anybody
suggest what would be the problem.
<br />> >
<br />> >
********************************error message********
<br />> > Select a
group: 5
<br />> > Selected 5: 'MainChain'
<br />> > There are 134
residues in your selected group
<br />> > Opening library file
<br />> >
/home/sunita/soft/gromacs/share/gromacs/top/ss.mapReading
<br />> > frame
0
<br />> > time 0.000
<br />> > Back Off! I just backed up dd3sOJn3 to
./#dd3sOJn3.1#
<br />> >
<br />> >
-------------------------------------------------------
<br />> > Program
do_dssp, VERSION 4.0.7
<br />> > Source code file: do_dssp.c, line:
471
<br />> >
<br />> > Fatal error:
<br />> > Failed to execute
command: /home/sunita/soft/bin -na dd3sOJn3
<br />> > ddZl9dcf >
<br />>
> /dev/null 2> /dev/null
<br />> >
**********************************
<br />> >
<br />> > Thanks,
<br />>
> Sunit
<br />> >
<br />> >
<br />> > -------------
<br />> >
--
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<br />
<br />
<br />Dr. Sunita Patel
<br />
---------------------------------------------
<br />
Visiting Fellow
<br />
Department of Chemical Sciences
<br />
T.I.F.R., Homi Bhabha Road, Colaba
<br />
Mumbai - 400005
<br />
---------------------------------------------
<br />
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