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.gmail.com>
> > Reply-To: amber.scripps.edu
> > To: amber.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.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).
> >> -----------------------------------------------------------------------
> >> The AMBER Mail Reflector
> >> To post, send mail to amber.scripps.edu
> >> To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
> >>
> >
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber.scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
>
>
--
Ilyas Yildirim
---------------------------------------------------------------
- Department of Chemisty - -
- University of Rochester - -
- Hutchison Hall, # B10 - -
- Rochester, NY 14627-0216 - Ph.:(585) 275 67 66 (Office) -
- http://www.pas.rochester.edu/~yildirim/ -
---------------------------------------------------------------
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Mar 07 2007 - 06:07:37 PST
