Thanks Mark,<br>I will do the analysis in 4.5.4. Hope while doing the micelle clustering I will not get into a infinite loop as in 4.0.7.<br>If I understand correctly, While using trjconv -pbc cluster, I should use -e 0.002 or the frames (-dump option) in the xtc file (generated after the micelles are formed)<br>
<br>Sulatha<br><br><br><div class="gmail_quote">2011/7/1 Mark Abraham <span dir="ltr"><<a href="mailto:Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a>></span><br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<div class="im">On 1/07/2011 3:35 PM, sulatha M. S wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Hi Tsjerk,<br>
<br>
I installed gromacs myself. I put the modified gmx_trjconv.c code in the /src/tools subdirectory where the source code is located and tried the command<br>
make trjconv<br>
But it gives me a series of error messages, as given below.<br>
</blockquote>
<br></div>
They're all mismatches because of changes between 4.0.7 and 4.5.4<div class="im"><br>
<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
My gromacs version is 4.0.7. I would like to continue in this version till I finish the set of runs which I have been doing before moving into 4.5.4 version. or else can I do the analysis alone in gromacs 4.5.4 with the xtc files generated from 4.0.7 version?<br>
</blockquote>
<br></div>
Do that. The file formats are unchanged.<br><font color="#888888">
<br>
Mark</font><div><div></div><div class="h5"><br>
<br>
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