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One more piece of information:<br>
I replaced xtc_get_current_frame_time of GMX 3.3.3 with that of GMX
3.3.1 and recompiled.<br>
<br>
Now xtc_get_last_frame_time does work.<br>
<br>
Ran.<br>
<br>
Ran Friedman wrote:
<blockquote cite="mid47FE1E83.8070102@bioc.uzh.ch" type="cite">
<pre wrap="">Dear Mark, GMX developers,
Unfortunately this doesn't work. In any case, this part of the code
returns -1 in any case:
}else if(ret == -1){
if(gmx_fseek(xdrfiles[fp+1],off,SEEK_SET)) {
return -1;
}
return -1;
}
and even if I try to move backwards 2*sizeoff(int) at a time it doesn't
get me anywhere.
Ran.
Mark Abraham wrote:
</pre>
<blockquote type="cite">
<pre wrap="">Ran Friedman wrote:
</pre>
<blockquote type="cite">
<pre wrap="">Mark Abraham wrote:
</pre>
<blockquote type="cite">
<pre wrap="">Roughly speaking, xtc_at_header_start expects to be at the start of a
frame to read its header, or to fail. The 3.3.1 version of
xtc_get_frame_number does the test-for-header with explicit code,
whereas 3.3.3 does it with the call to xtc_at_header_start. When the
test fails, and xtc_at_header_start fails, the 3.3.3 version should
probably have
if(gmx_fseek(xdrfiles[fp+1],off-sizeof(int)*2,SEEK_SET)){
as line 1328, not
if(gmx_fseek(xdrfiles[fp+1],off,SEEK_SET)){
so that it seeks backwards in the same way as the 3.3.1 code does. Ran
can probably test this to see if it works :-)
</pre>
</blockquote>
</blockquote>
</blockquote>
<pre wrap=""><!---->
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</pre>
</blockquote>
<br>
<br>
<pre class="moz-signature" cols="72">--
------------------------------------------------------
Ran Friedman
Postdoctoral Fellow
Computational Structural Biology Group (A. Caflisch)
Department of Biochemistry
University of Zurich
Winterthurerstrasse 190
CH-8057 Zurich, Switzerland
Tel. +41-44-6355593
Email: <a class="moz-txt-link-abbreviated" href="mailto:r.friedman@bioc.unizh.ch">r.friedman@bioc.unizh.ch</a>
Skype: ran.friedman
------------------------------------------------------
</pre>
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