Hi Tangj Jioawei, Erik.
This is due to periodic boundary conditions. Make sure your molecules
stay together (clustered/nojump) before determining the rmsd. Use
trjconv...
Tsjerk
On 9/27/07, Erik Marklund <[EMAIL PROTECTED]> wrote:
> My first guess, without knowing how you used g_rms, is that the
My first guess, without knowing how you used g_rms, is that the larde
rmsd for certain subunits is due to inadequate roto-translational fit
prior to rmsd-calculation. Does that help? If not, please be more
explicit about what you aim to do and what you have done.
/Erik
27 sep 2007 kl. 11.2
Hi,
On Thursday, 27. September 2007 11:29, TANG JIAOWEI wrote:
> Dear all,
> I am studying on a big protein with 16 subunits and when i used g_rmsd to
> one subunit of the protein, the result seems strange that the structure of
> the subunit changes much but it should not.. I searched the mailing l
Dear all,
I am studying on a big protein with 16 subunits and when i used g_rmsd to
one subunit of the protein, the result seems strange that the structure of
the subunit changes much but it should not.. I searched the mailing list and
it may be caused by the periodic thing. Could you tell me how t
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