AMBER Archive (2007)

Subject: Re: AMBER: psi , phi angles

From: Ilyas Yildirim (yildirim_at_pas.rochester.edu)
Date: Tue Mar 06 2007 - 06:10:32 CST

Just for the records, I have also had some bad luck with impose, but
cannot say that it's not working. In a single strand RNA molecule, I am
using the impose command to change 10-13 dihedral angels. It DOES work
in single strand structures. It does not work in dimers for sure.

On Mon, 5 Mar 2007, Piotr Cieplak wrote:

>
> No, "impose" does not work correctly.
> P.
>
>
> On Mon, 5 Mar 2007, Carlos Simmerling wrote:
>
> > Date: Mon, 5 Mar 2007 07:08:27 -0500
> > From: Carlos Simmerling <carlos.simmerling_at_gmail.com>
> > Reply-To: amber_at_scripps.edu
> > To: amber_at_scripps.edu
> > Subject: Re: AMBER: psi , phi angles
> >
> > check the manual, you can use the "impose" command
> >
> > On 3/5/07, deepti nayar <deepti.icgeb_at_gmail.com> wrote:
> >>
> >> hi
> >>
> >> I have build a phe-phe dipeptide using xleap. my next task is to
> >> change the torsion angles (psi and phi) at a certain interval and then
> >> note the corresponding energy. can anybody tell me if there is any way
> >> out to do it using leap (amber9).
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-- 
  Ilyas Yildirim
  ---------------------------------------------------------------
  - Department of Chemisty       -				-
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