AMBER Archive (2009)

Subject: Re: AMBER: problem with ptraj image command in Amber 10?

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Tue Jan 06 2009 - 11:37:51 CST

I had some imaging problems that went away with version 1.2 of
ambertools. make sure you're using current ambertools, ptraj isn't
part of amber10.

On Tue, Jan 6, 2009 at 12:28 PM, Ryan Pavlovicz <pavlovicz.7_at_osu.edu> wrote:
> I seem to be getting different (bad) results when processing a trajectory
> with the image command of ptraj from the Amber10 release than when the same
> trajectory is processed with the same commands from the Amber9 release.
>
> I was trying to image waters from a PBC MD run -- but when this was done
> with the Amber10 ptraj, there was some overlap of the waters with the
> protein. The imaging from Amber9 looked reasonable.
>
> Has anyone else run into this problem?
>
> -ryan
>
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