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On 1/05/2011 3:56 AM, Rasool Fakhimi wrote:
<blockquote cite="mid:508771.30102.qm@web120615.mail.ne1.yahoo.com"
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<div>dear developer's</div>
<div>i have problem with big .trr files produced by mdrun</div>
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</blockquote>
<br>
See <a
href="http://www.gromacs.org/Documentation/How-tos/Reducing_Trajectory_Storage_Volume">http://www.gromacs.org/Documentation/How-tos/Reducing_Trajectory_Storage_Volume</a><br>
<br>
<blockquote cite="mid:508771.30102.qm@web120615.mail.ne1.yahoo.com"
type="cite">
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255); font-family: times new roman,new york,times,serif;
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<div>can i change the source code to write only some groups
velocity and coordinates in .trr file?</div>
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</blockquote>
<br>
The former is not possible, but could be implemented by someone if
they wanted it. A form of the latter exists already.<br>
<br>
<blockquote cite="mid:508771.30102.qm@web120615.mail.ne1.yahoo.com"
type="cite">
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255); font-family: times new roman,new york,times,serif;
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<div>how can i do this?</div>
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</blockquote>
<br>
Examine src/kernel/md.c, then get out a debugger and step through
the code to see how the relevant parts work.<br>
<br>
Mark<br>
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