[AMBER] Regarding LIE in cpptraj

From: Kshatresh Dutta Dubey <kshatresh.gmail.com>
Date: Tue, 22 Jul 2014 10:23:50 +0300

Dear Users,
   I have some queries regarding lie command in cpptraj of amber14 manual.
In section 28.10.27, it is not clear to me that what does stand for <name>.
Similarly I am bit confused that whether I should use command like :

lie Ligand :619 Surroundings :1-618 out outfilename

lie :619 :1-618 out outfilename

Here 619 is ligand and 1-618 are protein.

  I will deeply appreciate your suggestions.

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Received on Tue Jul 22 2014 - 00:30:02 PDT
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