Re: [AMBER] H-Bonding

From: case <case.biomaps.rutgers.edu>
Date: Tue, 19 Oct 2010 14:51:39 -0400

On Tue, Oct 19, 2010, Beale, John wrote:
>
> Can someone help me? I would like to monitor a hydrogen bond in a
> protein over my trajectory, showing the hbond/no hbond behavior over
> time. Is there a way to do this in ptraj?

For just one H-bond, use the distance command to compute the distance between
the donor and the acceptor, then plot that.

....dac


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Oct 19 2010 - 12:00:03 PDT
Custom Search