you could do a flatwell distance restraint between the COM of the peptide
and the COM of some binding site residues.
On Tue, Dec 11, 2012 at 3:31 AM, Thomas Evangelidis <tevang3.gmail.com>wrote:
> Hello,
>
> Is it possible in Amber to apply a conditional force to a peptide whenever
> its COM leaves further than a cutoff distance from the binding site?
>
> thanks,
> Thomas
>
>
> --
>
> ======================================================================
>
> Thomas Evangelidis
>
> PhD student
> University of Athens
> Faculty of Pharmacy
> Department of Pharmaceutical Chemistry
> Panepistimioupoli-Zografou
> 157 71 Athens
> GREECE
>
> email: tevang.pharm.uoa.gr
>
> tevang3.gmail.com
>
>
> website: https://sites.google.com/site/thomasevangelidishomepage/
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Received on Tue Dec 11 2012 - 03:30:03 PST
