On 12/25/2011 9:44 PM, ?? wrote:
Dear teacher,
how to use gromacs 4.5.5's temple?
I expect that it is not meant to be functional. It's meant to be a
template from which you can write functional code without having to work
too hard on making it work like GROMACS tools work.
Mark
i make the temple successful! And when i run it (./template -f
traj.xtc -s water.tpr -cutoff 2),
the output like this:
"
Reading file water.tpr, VERSION 4.5.5 (single precision)
Reading file water.tpr, VERSION 4.5.5 (single precision)
Specify a reference selection:
(one selection per line, 'help' for help)
> help
SELECTION HELP
This program supports selections in addition to traditional index files.
Please read the subtopic pages (available through "help topic") for more
information. Explanation of command-line arguments for specifying
selections
can be found under the "cmdline" subtopic, and general selection syntax is
described under "syntax". Available keywords can be found under
"keywords",
and concrete examples under "examples". Other subtopics give more
details on
certain aspects. "help all" prints the help for all subtopics.
Available subtopics:
cmdline syntax positions arithmetic keywords evaluation
limitations
examples
>
"
thanks!!
Regards,
Bodu
Department of Polymer Science and Engineering,
School of Chemical Engineering and technology,
Tianjin University, Weijin Road 92, Nankai District 300072,
Tianjin City P. R. China
Tel/Fax: +86-22-27404303 ; +8613820062885
E-mail: [email protected] <mailto:[email protected]> ;
[email protected] <mailto:[email protected]>
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