[AMBER] how to restrain the ligand in minimization and NVT equilibration step?

From: Albert <mailmd2011.gmail.com>
Date: Fri, 13 Apr 2012 19:17:39 +0200


   I am going to restrain my ligand with harmonic restrain during the
minimization and NVT equilibration step. How can I do that? I only find
restrain CA or backbone for the protein in the online tutorial but no
guide for the ligand.....

thank you very much

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Received on Fri Apr 13 2012 - 10:30:03 PDT
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