Thanks David!!
It works well!! :) Could you suggest something for the side-chain??
Yours,
Po
On Tue, Jun 7, 2011 at 5:02 PM, David A. Case <case.biomaps.rutgers.edu>wrote:
> On Tue, Jun 07, 2011, Xiao Chen wrote:
> >
> > How can we calculate
> > a)rmsd of each residue (backbone) at each frame in the simulation
> (not
> > r.m.s.f).
>
> You first do an ordinary rms fit on whatever atoms (say all the backbone)
> that
> will remove overall translation and rotation.
>
> Next, you do an rms fit with the "nofit" keyword, say on a certain residue,
> which will calculate the rmsd from the reference structure just for the
> atoms
> in the current mask.
>
> ....dac
>
>
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Received on Tue Jun 07 2011 - 22:00:03 PDT
