AMBER Archive (2008)

Subject: Re: AMBER: Amber9 vs AmberTools 1.0: weird imaging problem with ptraj?

From: Hannes Loeffler (h.loeffler_at_dl.ac.uk)
Date: Wed Jul 23 2008 - 06:11:57 CDT

On Tue, 2008-07-22 at 10:45 -0600, Thomas Cheatham wrote:
> > I am working on some routines of my own for ptraj. Recently I ported my
> > code from Amber9 to AmberTools 1.0 but there seems to be a strange
> > problem involving imaging (visual inspection of my trajectory with VMD
>
> Please see if AmberTools 1.2 fixes this; with the addition of support for
> replica-exchange we messed up box information. This is now fixed and I
> think will get rid of your problems. If not, let me know and send more
> details and I can track it down.

Looks fine now.

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
      to majordomo_at_scripps.edu