AMBER Archive (2007)

Subject: Re: AMBER: torsion angle

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Wed Mar 14 2007 - 06:27:02 CST

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_at_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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