AMBER Archive (2005)

Subject: AMBER: using periodic boundary conditions to create infinite double helix

From: Kenley Barrett (kenley.barrett_at_gmail.com)
Date: Wed Nov 16 2005 - 11:32:39 CST


Dear Amber community:

I am interested in using periodic bounday conditions to repeat and rotate
monomers of a helix to create an infinite helix. As far as I know, AMBER
doesn't have capabilities for this; however, I was wondering if anyone has
experience with this sort of problem. Also, could somebody please direct me
to the leap source code in which periodic boundary conditions are set? In
the event that I have to write my own code I would like to see how AMBER
does things first.

Thank you very much for your time.

Sincerely,
Kenley Barrett
Northwestern University

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