<span>On 12/06/10, <b class="name">"Shi Wenxiong (Dr)" </b> <WXSHI@ntu.edu.sg> wrote:</span><blockquote cite="mid: <7085C89ACBD47E4B947F91A84B9EA9241D8DF9E6D6@EXCHANGE31.staff.main.ntu.edu.sg" class="iwcQuote" style="border-left: 1px solid #00F; padding-left: 13px; margin-left: 0;" type="cite"><div class="mimepart text html"><span dir="ltr"><p>
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</p><div dir="ltr"><font color="#000000" face="Tahoma" size="2">I think you can use the command "trjcat -f MD1.xtc MD2.xtc -o MD.xtc", you will get one xtc data.</font></div></td></tr></tbody></table></p></span></div></blockquote><div><br /></div><div>Indeed, or circumvent the problem with appropriate use of mdrun -append</div><div><br /></div><div>Mark</div><blockquote cite="mid: <7085C89ACBD47E4B947F91A84B9EA9241D8DF9E6D6@EXCHANGE31.staff.main.ntu.edu.sg" class="iwcQuote" style="border-left: 1px solid #00F; padding-left: 13px; margin-left: 0;" type="cite"><div class="mimepart text html"><span dir="ltr"><p><table><tbody><tr><td ocsi="x"><div dir="ltr"><font color="#000000" face="Tahoma" size="2"></font></div>
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<font face="Tahoma" size="2"><b>From:</b> gmx-users-bounces@gromacs.org [gmx-users-bounces@gromacs.org] On Behalf Of shiva birgani [sh.birgani@gmail.com]<br />
<b>Sent:</b> Monday, December 06, 2010 3:16 PM<br />
<b>To:</b> gmx-users<br />
<b>Subject:</b> [gmx-users] Crashed run<br />
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<div>Dear Justin<br />
I had a crashed run and continued it by tpbconv and mdrun. After that in order to analysis the results of new MD run I used of this command<br />
trjcat -s md2.tpr -settime <br />
But when I want to compute RMSD, DSSP, ... I do not know how I can put together the results of MD1 (crashed run) and MD2 (continued one) to have the homogeneous results.<br />
Could you please help me in this regard?<br />
thanks in advance<br />
Shiva<br />
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