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David wrote:<br>
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cite="mid1073936297.9469.0.camel@h99n2fls34o1123.telia.com">
<pre wrap="">On Mon, 2004-01-12 at 20:39, Milton Taidi Sonoda wrote:
</pre>
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<pre wrap="">Hi
I'm new on GROMACS and I guess I have a very simple question.
If I had to deal with am non-aminoacid new molecule with different
forcefield parameters absent in the ffxxxbon.itp and ffxxxnb.itp files,
do I had to put the new molecule structure in the ffxxx.rtp and
in the same time construct a newmolecule.itp file to include in the
topology file?
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<pre wrap=""><!---->One of those is enough. If you have a new molecule, an itp file is
easier. Use prodrg for that. For a protein building block you need to
make an rtp entry.
</pre>
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<pre wrap="">Thank's in advance
Milton Taidi Sonoda
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</pre>
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PRODRG doesn´t work with OPLSAA.<br>
It'll work some day?<br>
<br>
[]´s<br>
<br>
<pre cols="72" class="moz-signature">--
Alexandre Suman de Araujo
<a class="moz-txt-link-abbreviated" href="mailto:asaraujo@if.sc.usp.br">asaraujo@if.sc.usp.br</a>
UIN: 6194055
IFSC - USP - São Carlos - Brasil</pre>
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