Re: AMBER: torsion angle

From: Carlos Simmerling <carlos.simmerling.gmail.com>
Date: Wed, 14 Mar 2007 08:27:02 -0400

you can try using "impose" in leap, or you can apply a
torsion restraint during MD ("NMR restraints") and change
the restraint position with time to force it to move to the desired angle.

On 3/14/07, deepti nayar <deepti.icgeb.gmail.com> wrote:
> hi amber users
>
> i am able to run addles now and so there is no problem with the NEB
> tutorial. bt please tell me where can one change the torsion angle of
> a peptide to make a protein with different conformation.
>
> thanx
> deepti
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Received on Sun Mar 18 2007 - 06:07:05 PDT
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