In the amber home page you will find a line in "Updated information
about various components" :
"Patches for the Random acceleration MD (RAMD) method,, also from
Rebecca Wade's group".
with a link to Rebeca Wade's HP (
http://projects.villa-bosch.de/mcm/software/amber )
You can also try LES to study your ligand path.
Regards,
--alessandro
On Nov 29, 2007 5:26 AM, Francesco Pietra <chiendarret.yahoo.com> wrote:
> Is it any way to implement RAMD (Random Acceleration Molecular Dynamics, as
> from D Case et al J Comput Chem 2005, 26, 1668-1688) in Amber9? I would like to
> apply it to push a ligand out of a pore protein and see the path.
>
> Thanks
>
> francesco pietra
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Received on Sun Dec 02 2007 - 06:07:18 PST
