On Wed, Jul 26, 2023 at 9:37 AM Bhattacharjee, Sinjini via AMBER
<amber.ambermd.org> wrote:
> Should I use the ‘align’ keyword along with the atom mask for everything excluding loops ?
>
> Also, what is the difference between the ‘align’ and ‘rms’ fit option for the above purpose?
There is no difference in the alignment, 'align' and best-fit 'rms'
use the same algorithm under the hood to perform the fitting; you'll
just get an RMSD data set with the latter command.
-Dan
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Aug 02 2023 - 07:30:02 PDT
