Hi Dhananjay,<br><br>Basically, you can choose whichever tpr file you like. If you just want to have the information about bonds, angles, etc, it's all the same. However, if you want to relate your frames to a given reference (
e.g. for calculating the RMSD), it will matter. Which one you'll have to choose then, is up to you to decide.<br><br>Cheers,<br><br>Tsjerk<br><br><div><span class="gmail_quote">On 4/24/06, <b class="gmail_sendername">Dhananjay
</b> <<a href="mailto:dhananjay.c.joshi@gmail.com">dhananjay.c.joshi@gmail.com</a>> wrote:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<div style="direction: ltr;">Hello all,<br>
<br>
Using trjcat I have joined 3 *.trr files and got final *.trr file.<br>
<br>
How to get/genetare corresponding *.tpr file ?<br>
<br>
According to manual, the tpr file extension stands for portable binary run input file. This file
contains the starting structure of your simulation, the molecular topology
and all the simulation parameters.......<br>
<br>
Do it mean that out of 3 *.tpr files (which are corresponding to above *.trr file that I joined) I can take any one ?<br>
<br>
<br>
Thanking you in advance.....<br></div><div style="direction: ltr;"><span class="sg">
<br>
<br>
Dhananjay<br>
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</a><br><br></blockquote></div><br><br clear="all"><br>-- <br><br>Tsjerk A. Wassenaar, M.Sc.<br>Groningen Biomolecular Sciences and Biotechnology Institute (GBB)<br>Dept. of Biophysical Chemistry<br>University of Groningen
<br>Nijenborgh 4<br>9747AG Groningen, The Netherlands<br>+31 50 363 4336<br>