<div> how to use gromacs 4.5.5's temple</div><div> Dear teacher,</div><div> i have already modify the code, and also make it.</div><div>Attached is my modified code good. </div><div>>> Dear teacher,</div><div>>> how to use gromacs 4.5.5's temple?</div>
<div>></div><div>>I expect that it is not meant to be functional. It's meant to be a</div><div>>template from which you can write functional code without having to work</div><div>>too hard on making it work like GROMACS tools work.</div>
<div>></div><div>>Mark</div><div>></div><div>>></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>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><br></div><div>"</div><div><br></div><div>thanks!!</div><div>Regards,</div><div>Bodu</div>
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