thank you for your reply.
the mode is just analysis, it is not alter the simulation, so i can use ptraj to post-process the trajectory to get the sum(cos(torsion)).
----- Original Message -----
From: "Daniel Roe" <daniel.r.roe.gmail.com>
To: "AMBER Mailing List" <amber.ambermd.org>
Sent: Friday, April 15, 2011 6:53 AM
Subject: Re: [AMBER] a problem about tutorial A12
Hi,
Tutorial A12 pertains to Amber 11 only. Unfortunately the
COS_OF_DIHEDRAL type is not implemented in the Amber 10 ncsu code. I'm
not sure if there is a way to get around this in amber 10 (people more
familiar with the ncsu stuff may want to comment).
-Dan
On Thu, Apr 14, 2011 at 10:09 AM, Junjian Miao <junjianmiao.gmail.com> wrote:
>
> hi all,
>
> with amber10, how can i reproduce the work about figure 2 of the tutorial 12 from amber site. within
>
> amber10, there is no type = COS_OF_DIHEDRAL, only type = TORSION, and only four variables can
>
> be provided. however, in figure 2, there are five torsions. how to solve this problem? please help me out.
>
>
> thank you very much!
>
> junjian Miao
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Thu Apr 14 2011 - 21:00:02 PDT
