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On 12/25/2011 9:44 PM, 杜波 wrote:
<blockquote
cite="mid:CAAH6B-k1hLNcpcf=zjzqATenMLQPP-JVC++QfiHr4TTg6wH4qw@mail.gmail.com"
type="cite">
<div>Dear teacher,</div>
<div>how to use gromacs 4.5.5's temple?</div>
</blockquote>
<br>
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.<br>
<br>
Mark<br>
<br>
<blockquote
cite="mid:CAAH6B-k1hLNcpcf=zjzqATenMLQPP-JVC++QfiHr4TTg6wH4qw@mail.gmail.com"
type="cite">
<div><br>
</div>
<div>i make the temple successful! And when i run it (./template
-f traj.xtc -s water.tpr -cutoff 2),</div>
<div>the output like this:</div>
<div><br>
</div>
<div>"</div>
<div>
<div>Reading file water.tpr, VERSION 4.5.5 (single precision)</div>
<div>Reading file water.tpr, VERSION 4.5.5 (single precision)</div>
<div><br>
</div>
<div>Specify a reference selection:</div>
<div>(one selection per line, 'help' for help)</div>
<div>> help</div>
<div>SELECTION HELP</div>
<div><br>
</div>
<div>This program supports selections in addition to traditional
index files.</div>
<div>Please read the subtopic pages (available through "help
topic") for more</div>
<div>information. Explanation of command-line arguments for
specifying selections</div>
<div>can be found under the "cmdline" subtopic, and general
selection syntax is</div>
<div>described under "syntax". Available keywords can be found
under "keywords",</div>
<div>and concrete examples under "examples". Other subtopics
give more details on</div>
<div>certain aspects. "help all" prints the help for all
subtopics.</div>
<div><br>
</div>
<div>Available subtopics:</div>
<div> cmdline syntax positions arithmetic keywords
evaluation limitations</div>
<div> examples</div>
<div>></div>
</div>
<div><br>
</div>
<div>"</div>
<div><br>
</div>
<div><br>
</div>
<div>thanks!!</div>
<div>Regards,</div>
<div>Bodu</div>
<div><span class="Apple-style-span" style="">Department of Polymer
Science and Engineering,</span><span class="Apple-style-span"
style="">
<div>School of Chemical Engineering and technology,</div>
<div>Tianjin University, Weijin Road 92, Nankai District
300072,</div>
<div>Tianjin City P. R. China</div>
<div>Tel/Fax: +86-22-27404303 ; +8613820062885</div>
<div>E-mail: <a moz-do-not-send="true"
href="mailto:2008dubo@gmail.com" target="_blank"
style="color:rgb(17,85,204)">2008dubo@gmail.com</a> ; <a
moz-do-not-send="true" href="mailto:dubo2008@tju.edu.cn"
target="_blank" style="color:rgb(17,85,204)">dubo2008@tju.edu.cn</a></div>
</span></div>
<br>
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<br>
</blockquote>
<br>
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