Hi!
Thanks. I will surely try it. Does it have any tutorial which i could
try. I came across this:
http://www.rosswalker.co.uk/tutorials/psc_workshop/Tutorial_six/target_md_dock.html
But it seems quiet old, it uses amber9 and there have been lot of updates
and work done from back then.
Is there some newer version available.
In any case, thanks Case.
Regards
Abhilash
On Tue, Dec 29, 2015 at 2:12 AM, David A Case <david.case.rutgers.edu>
wrote:
> On Mon, Dec 28, 2015, Abhilash J wrote:
> >
> > I have a protein which exists in two conformations. I have PDB files
> > (from RSCB PDB ) of both the conformations. I need to run a MD which
> starts
> > from one conformation and moves towards the other conformation (kind of
> > guided MD). I fear normal MD will either take too long if left unguided
> or
> > even not give any result.
>
> This is called "targeted MD": please see section 21.3 of the Amber 2015
> Reference Manual.
>
> ....dac
>
> --
>
> ====================================================================
> David A. Case | david.case.rutgers.edu
> Dept. of Chemistry & Chemical Biology |
> Rutgers University | office: +1-848-445-5885
> 174 Frelinghuysen Road, Rm. 208b | cell: +1-609-751-8668
> Piscataway, NJ 08854 USA | http://casegroup.rutgers.edu
> ====================================================================
>
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Received on Mon Dec 28 2015 - 21:00:02 PST
