<div>I have checked with gmxcheck and velocities and forces are output in .trr. I am playing template.c to try to learn more about GMX.</div>
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<div>I read gmx_traj.c, but not quite understand.</div>
<div>Can you give me a example, for instance the flags to be set in template.c to read the velcocities?</div>
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<div>thank you</div>
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<div>Qiang<br><br></div>
<div class="gmail_quote">On Fri, Nov 28, 2008 at 1:41 AM, Tsjerk Wassenaar <span dir="ltr"><<a href="mailto:tsjerkw@gmail.com">tsjerkw@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">Hi Qiang,<br><br>You'll have to check whether the frame contains velocities (fr.bV ==<br>TRUE) or forces (fr.bF == TRUE). Also make sure you set the flags<br>
right to read velocities/forces. Check the source of g_traj or trjconv<br>for examples.<br><br>Cheers,<br><br>Tsjerk<br>
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<div class="Wj3C7c"><br>On Fri, Nov 28, 2008 at 10:33 AM, Mark Abraham <<a href="mailto:Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a>> wrote:<br>> friendli wrote:<br>>><br>>> Dear all users,<br>
>><br>>> A silly question:<br>>><br>>> I want to print out the velocities and forces in the trajectories using<br>>> template.c.<br>><br>> g_traj or gmxdump do that.<br>><br>> Mark<br>
> _______________________________________________<br>> gmx-users mailing list <a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a><br>> <a href="http://www.gromacs.org/mailman/listinfo/gmx-users" target="_blank">http://www.gromacs.org/mailman/listinfo/gmx-users</a><br>
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><br><br><br><br></div></div>--<br>Tsjerk A. Wassenaar, Ph.D.<br>Junior UD (post-doc)<br>Biomolecular NMR, Bijvoet Center<br>Utrecht University<br>Padualaan 8<br>3584 CH Utrecht<br>The Netherlands<br>P: +31-30-2539931<br>
F: +31-30-2537623<br>
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