[AMBER] extraction of specific region of the trajectory file using ptraj

From: Puspita Halder <puspitah.gmail.com>
Date: Wed, 24 Jul 2013 12:08:21 +0530


I need to extraxt the coordinates of the active site (e.g. 10 to 12
Angstrom from the central metal atom) of my protein from its dcd trajectory
file. My first question is: can I do that by using ptraj? I am not very
familiar with all the functionalities of ptraj since I stated using that
very recently. If anyone of you used ptraj for similar kind of analysis
please let me know the required commands to do so using ptraj.

Thanks in advance for your help.

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Received on Wed Jul 24 2013 - 00:00:02 PDT
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