AMBER Archive (2009)

Subject: [AMBER] Centering and reimaging with ptraj- stop rotating.

From: ben rodriguez (
Date: Mon Oct 19 2009 - 22:00:26 CDT


I am trying to center my protein so that it remains as fixed as possible throughout the trajectory, especially the rotational movement, while still keeping the waters. I've tried many combinations of the center and image commands, buy have yet to find a strategy for this. I can center single or multiple residues,then the whole protein, then reimage, but it will still rotate around that point. Any help would be appreciated.

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