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<p class="western" style="margin-bottom: 0cm;">Hi all</p>
<p class="western" style="margin-bottom: 0cm;"><br>
</p>
<p class="western" style="margin-bottom: 0cm;">I  work in a molecular
dynamic  system : membrane carrier in  a lipid bilayer (pope) + water</p>
<p class="western" style="margin-bottom: 0cm;"><br>
</p>
<p class="western" style="margin-bottom: 0cm;">the protein was insert
in pope lipid bilayer ...</p>
<p class="western" style="margin-bottom: 0cm;"><br>
</p>
<p class="western" style="margin-bottom: 0cm;">but now I have problems
with in execute <i>grompp</i> 
</p>
<p class="western" style="margin-bottom: 0cm;"><br>
</p>
<p class="western" style="margin-bottom: 0cm;">I dowload e put correct
:</p>
<p class="western" style="margin-bottom: 0cm;"><br>
</p>
<p class="western" style="margin-bottom: 0cm;">pope.pdb and pope.itp 
</p>
<p class="western" style="margin-bottom: 0cm;"><br>
</p>
<p class="western" style="margin-bottom: 0cm;">and Ii include the
files</p>
<p class="western" style="margin-bottom: 0cm;"><br>
</p>
<pre class="western"><i>lipid.itp, ffgmx.itp ffgmxnb.itp and ffgmxbon.itp</i></pre><p class="western" style="margin-bottom: 0cm;">
<br>
</p>
<p class="western" style="margin-bottom: 0cm;">I use gromacs 3.3  with
(GROMOS96 43a1 force field)</p>
<p class="western" style="margin-bottom: 0cm;"><br>
</p>
<p class="western" style="margin-bottom: 0cm;">My top file have :</p>
<p class="western" style="margin-bottom: 0cm;"><br>
</p>
<pre class="western">; Include forcefield parameters
#include &quot;ffG43a1.itp&quot;
and...
; topology for a pure POPE bilayer with 56 lipids and 8213 SPC water
; molecules

#include &quot;ffgmx.itp&quot;
#include &quot;lipid.itp&quot;
#include &quot;pope.itp&quot;

#ifdef FLEX_SPC
#include &quot;flexspc.itp&quot;
#else
#include &quot;spc.itp&quot;
#endif</pre><p class="western" style="margin-bottom: 0cm;">
<br>
</p>
<p class="western" style="margin-bottom: 0cm;">and when i run grompp i
have thsi message error</p>
<p class="western" style="margin-bottom: 0cm;"><br>
</p>
<p class="western" style="margin-bottom: 0cm;"><br>
</p>
<p class="western" style="margin-bottom: 0cm;"><i>Program grompp,
VERSION 3.3</i></p>
<p class="western" style="margin-bottom: 0cm;"><i>Source code file:
topio.c, line: 385</i></p>
<p class="western" style="margin-bottom: 0cm;"><br>
</p>
<p class="western" style="margin-bottom: 0cm;"><i>Fatal error:</i></p>
<p class="western" style="margin-bottom: 0cm;"><i>Invalid order for
directive defaults, file &quot;&quot;ffgmx.itp&quot;&quot;, line 4</i></p>
<p class="western" style="margin-bottom: 0cm;"><br>
</p>
<p class="western" style="margin-bottom: 0cm;"><br>
</p>
<p class="western" style="margin-bottom: 0cm; font-style: normal;">But
I can not find error in this file in that line</p>
<p class="western" style="margin-bottom: 0cm; font-style: normal;"><br>
</p>
<p class="western" style="margin-bottom: 0cm;">ffgmx.itp :</p>
<p class="western" style="margin-bottom: 0cm;"><br>
</p>
<pre class="western"><i>#define _FF_GROMACS</i>
<i>#define _FF_GROMACS1</i>

<i><b>[ defaults ]</b></i>
<i>; nbfunc        comb-rule       gen-pairs       fudgeLJ fudgeQQ</i>
  <i>1             1               no              1.0     1.0</i>

<i>#include &quot;ffgmxnb.itp&quot;</i>
<i>#include &quot;ffgmxbon.itp&quot;</i>
</pre><p class="western" style="margin-bottom: 0cm;">
the error is line 4 : <span style=""><span style="font-style: normal;">[
defaults ]</span></span></p>
<p class="western" style="margin-bottom: 0cm;"><br>
</p>
<p class="western" style="margin-bottom: 0cm;"><br>
</p>
<p class="western" style="margin-bottom: 0cm;"><br>
</p>
<p class="western" style="margin-bottom: 0cm;"><br>
</p>
<p class="western" style="margin-bottom: 0cm;">Some one can help me ?</p>
<p class="western" style="margin-bottom: 0cm;"><br>
</p>
<p class="western" style="margin-bottom: 0cm;">Thanks !</p>
<p class="western" style="margin-bottom: 0cm;"><br>
</p>
<p class="western" style="margin-bottom: 0cm;">Antonio SÚrgio
Kimus Braz</p>