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On 5/11/2010 4:53 PM, Yao Yao wrote:
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<td style="font: inherit;" valign="top">Hi Gmxers,
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<div>Is that possible that in mdp file, only a
specifically-targeted part inside/of the protein is
energy minimized (EM)? Like, just wanna EM the ligand or
one out of the two proteins in protein-docking.</div>
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I'm not sure, but freeze groups + EM might do this. See manual.<br>
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Mark<br>
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<div>Thanks in advance,</div>
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<div>Yao</div>
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