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On 12/06/2012 9:15 PM, delara aghaie wrote:
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cite="mid:1339499755.52523.YahooMailNeo@web28706.mail.ir2.yahoo.com"
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<div>Dear Gromacs users</div>
<div>I have encountered in pdb data bank with Human interferon
crystal structure:</div>
<div>PDB ID : 1ITF</div>
<div><a class="moz-txt-link-freetext" href="http://www.rcsb.org/pdb/explore/explore.do?structureId=1ITF">http://www.rcsb.org/pdb/explore/explore.do?structureId=1ITF</a></div>
<div><br>
</div>
<div>It is mentioned that it contains 24 structures. I opened
the file and saw there are 24 models there.</div>
<div><br>
</div>
<div>Now if I want to do some simulations on this protein, how
should I know which model to select</div>
</div>
</blockquote>
<br>
That depends on how and why they differ and what your objective is.
Your call.<br>
<br>
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cite="mid:1339499755.52523.YahooMailNeo@web28706.mail.ir2.yahoo.com"
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<div> and when doing pdb2gmx, I should delete the other models?</div>
</div>
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<br>
Yes, pdb2gmx probably just uses the first one it finds, so you may
want to delete the ones you don't want.<br>
<br>
Mark<br>
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