[AMBER] Trajout by distance

From: Pietro Aronica <pietroa.bii.a-star.edu.sg>
Date: Mon, 15 Jul 2019 19:03:58 +0800


I have a trajectory where my peptide is at a variable distance from my
protein. I can calculate this distance using the appropriate command,
but how can I then tell cpptraj to extract the frames where this
distance is lower than a certain value and trajout a trajectory where my
peptide is close to the protein? Is there even an easy way of doing
this? Is there a separate command for it?

Any help is appreciated.

Pietro Aronica

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Received on Mon Jul 15 2019 - 04:30:02 PDT
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