Re: [AMBER-Developers] To-do list for Amber11 release

From: MengJuei Hsieh <mengjueh.uci.edu>
Date: Wed, 27 Jan 2010 14:30:20 -0800

Hi,

We are working the test cases for pbsa module in sander, we'll check-in the
code after we finished the test.

As to the sff integration, do you guys have any example code other than the
pseudo code in the AmberTools manual that I can start from? It would be very
helpful if I can learn how people normally work with NAB/SFF to get the epol
(like, egb).

Best, 
-- 
Mengjuei Hsieh, Luo Group, Molecular Biology & Biochem, Univ. of California
Irvine.
> From: case <case.biomaps.rutgers.edu>
> Date: Wed, 27 Jan 2010 12:46:21 -0500
> To: <amber-developers.ambermd.org>
> Subject: [AMBER-Developers] To-do list for Amber11 release
> 
> 3.  pbsa:   get sander to work with pbsa; make interface to sff(?)
>                   (Irvine group)
_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Wed Jan 27 2010 - 15:00:03 PST
Custom Search