I have created one file named it as "forcefield.doc" and paste the contents of "forcefield.itp" into it and also include "lipid.itp file.The content of my "forcefield.doc" file is given below:<br>
<br>#define _FF_GROMOS96<br>#define _FF_GROMOS53A6<br><br>[ defaults ]<br>; nbfunc comb-rule gen-pairs fudgeLJ fudgeQQ<br> 1 1 no 1.0 1.0<br><br>#include "ffnonbonded.itp"<br>
#include "ffbonded.itp"<br>#include "lipid.itp"<br><br>Let me know whether it is correct or not.<br><br><div class="gmail_quote">On Mon, Jan 23, 2012 at 12:17 PM, Mark Abraham <span dir="ltr"><<a href="mailto:Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div bgcolor="#FFFFFF" text="#000000"><div><div class="h5">
On 23/01/2012 5:13 PM, Anushree Tripathi wrote:
<blockquote type="cite">
<pre><i>I am using gromacs 4.5.3 version and I am trying to follow the tutorials. For
</i><i> starting I am following the *KALP15 in DPPC*
</i><i> tutorial(<a href="http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/membrane_protein/02_topology.html" target="_blank">http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/membrane_protein/02_topology.html</a>).
</i><font face="Arial"><font size="3">I am not getting the point that is given below :
Next, create a <code>forcefield.doc</code> file that contains a description of the force field parameters in it. Mine contains something like:
GROMOS 53A6 forcefield , extended to include Berger force field parameter.
Please guide me for creating forcefield.doc.
</font></font></pre>
<br>
</blockquote>
<br></div></div>
Have a look at the contents of this file in the pre-supplied force
fields. Then look at the normal output of pdb2gmx. The former is
used in the latter to help you pick the force field you want to use.<span class="HOEnZb"><font color="#888888"><br>
<br>
Mark<br>
</font></span></div>
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