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Dear Mark,<div><br></div><div>In fact, I was converting the AMBER trajectories to trr format by VMD. However, my VMD is failed to load so large trajectories files. </div><div><br></div><div>I guess I can convert several trr files into one trr file. Is it possible to be done with GROMACS? If yes, how can I do it?</div><div><br></div><div>Many thanks,</div><div><br></div><div>Catherine<br><br><div><div id="SkyDrivePlaceholder"></div><hr id="stopSpelling">From: mark.abraham@anu.edu.au<br>To: gmx-users@gromacs.org<br>Date: Thu, 8 Mar 2012 21:36:03 +1100<br>Subject: Re: [gmx-users] How to input multiple trr files?<br><br><div><span>On 08/03/12, <b class="ecxname">a a </b><patd_2@hotmail.com> wrote:</span></div><blockquote style="border-left:#00f 1px solid;padding-left:13px;margin-left:0px" class="ecxiwcQuote" cite="mid:COL118-W354F2C44CB8E3A8207B3D6A3570@phx.gbl">
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<div dir="ltr">Dear Gromacs experts,
<div><br></div><div>I am trying to use the following command: </div><div><br></div><div>g_covar -s file.pdb -f dynamic.trr -o -v</div><div><br></div><div>However, since my trr file is too large, I have to separately prepared it into dynamic1.trr dynamic2.trr, dynamic3.trr.</div><div><br></div><div>Would you mind to instruct how to input several trr files, how to modify the above command line?</div></div></div></td></tr></tbody></table></blockquote>
<div> </div><div>This is not possible. Input to all GROMACS tools must be in one file, with rare exceptions for algorithms that do the same thing on several files. Either you need a filesystem capable of dealing with the large file, or follow the advice here <a href="http://www.gromacs.org/Documentation/How-tos/Reducing_Trajectory_Storage_Volume" target="_blank">http://www.gromacs.org/Documentation/How-tos/Reducing_Trajectory_Storage_Volume</a></div><div> </div><div>Mark </div>
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