On Mon, 18 Jun 2012 18:25:02 +0000
Benjamin D Madej <bmadej.ucsd.edu> wrote:
> Yes, we primarily use ptraj scripts to do the calculations. That web
> site is a good resource. I'll repost the link:
> http://www.stfc.ac.uk/cse/25249.aspx
>
> One of our collaborators actually contacted that author to see if
> they wanted to include their code in the official releases of ptraj,
> but I don't know what the response was. It'd be nice to include in
> Amber.
I have contacted Tom Cheatham twice but unfortunately never got a
response. I have no problem if the code is included in one of the
ptrajs. As derived work it is under GPL anyway.
Cheers,
Hannes.
--
Scanned by iCritical.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Jun 19 2012 - 06:00:02 PDT
