Hi<br><br>The future xml format will be great. And no, cause I can always links my fortran codes to C routines... It's just "ugly".<br><br>Thanks for the clue in grompp.c file. :)<br><br>Now that you've mentioned, why couldn't I use the .tpr files? Shouldn't it be like reading the .xtc files, written by a C written program?
<br><br>Cause it seems that the .tpr will have the data in a more compact and definitive way, instead of the possibility of thousands of reads due to the include files.<br><br>Even so, the worst that could happen would be to use the grmacs C routines to read the .tpr file. Could you tell me which files should I look at, in this case?
<br><br>Thanks a lot in advance!<br><br>Jones<br><br><div><span class="gmail_quote">On 3/24/07, <b class="gmail_sendername">David van der Spoel</b> <<a href="mailto:email@example.com">firstname.lastname@example.org</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;">Jones de Andrade wrote:<br>> Hi David.<br>><br>> I would say the .top files. .tpr are not of interest in this point,
<br>> extra and unnecessary information (at least, I expect).<br>><br>> I would prefer this in fortran if possible, cause it would more easy for<br>> me to manage. But I don't expect it exists.<br>I have worked on a XML replacement for tpr files. In that case you would
<br>get all information that is in the top file, and you can probably use a<br>fortran XML library to read such a file. It is not fully functional though.<br><br>And do you really need fortran?<br><br>><br>> About the gromacs C files involved: which ones should I look at?
<br>there are many, since the top is processed in quite some detail. Look<br>into grompp.c (function new_status).<br><br>><br>> Sorry for not making myself clear in the previous message.<br>><br>> Thanks a lot in advance,
<br>><br>> Jones<br><br><br>--<br>David.<br>________________________________________________________________________<br>David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,<br>Dept. of Cell and Molecular Biology, Uppsala University.
<br>Husargatan 3, Box 596, 75124 Uppsala, Sweden<br>phone: 46 18 471 4205 fax: 46 18 511 755<br><a href="mailto:email@example.com">firstname.lastname@example.org</a> <a href="mailto:email@example.com">firstname.lastname@example.org
</a> <a href="http://folding.bmc.uu.se">http://folding.bmc.uu.se</a><br>++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++<br>_______________________________________________<br>gmx-users mailing list
<a href="mailto:email@example.com">firstname.lastname@example.org</a><br><a href="http://www.gromacs.org/mailman/listinfo/gmx-users">http://www.gromacs.org/mailman/listinfo/gmx-users</a><br>Please search the archive at <a href="http://www.gromacs.org/search">
http://www.gromacs.org/search</a> before posting!<br>Please don't post (un)subscribe requests to the list. Use the<br>www interface or send it to <a href="mailto:email@example.com">firstname.lastname@example.org
</a>.<br>Can't post? Read <a href="http://www.gromacs.org/mailing_lists/users.php">http://www.gromacs.org/mailing_lists/users.php</a><br></blockquote></div><br>