Thank you very much, Mirco. I will try to understand the code and modify it.<br><br>Jicun<br><br><div class="gmail_quote">2012/10/1 Mirco Wahab <span dir="ltr"><<a href="mailto:mirco.wahab@chemie.tu-freiberg.de" target="_blank">mirco.wahab@chemie.tu-freiberg.de</a>></span><br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Am 02.10.2012 00:11, schrieb Mark Abraham:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div class="im">
On 2/10/2012 8:06 AM, Jicun Li wrote:<br>
</div><div class="im"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
How can I modify the source code to support the free format gro file?<br>
Thank you very much.<br>
</blockquote>
<br>
You could do that, but what's the advantage?<br>
</div></blockquote>
<br>
Probably because in C/C++, you have to copy each data field<br>
to a separate buffer in order to handle this data item correctly<br>
and efficiently for yourself. This might even be a hard task<br>
for a newbie, I'd think (and remember ...).<br>
<br>
If you can trust the data to be white-space separated, this task<br>
will become trivial (sscanf, istreams and friends).<span class="HOEnZb"><font color="#888888"><br>
<br>
M.</font></span><div class="HOEnZb"><div class="h5"><br>
<br>
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