AMBER Archive (2008)

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

From: Thomas Cheatham (tec3_at_utah.edu)
Date: Tue Jul 22 2008 - 11:45:12 CDT

> 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.

-- tec3_at_utah.edu

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