Hi,
I think what you want is the 'perres' keyword (and associated
keywords). This will calculate the no-fit RMSD of individual residues
after doing a global fit. See the manual for full details.
-Dan
On Mon, Nov 11, 2019 at 9:11 PM 조준범 <j1300704.gmail.com> wrote:
>
> Hi all,
>
> Is there any method to calculate the msd of center-of-mass of many residues?
> I tried it through the mask ":TEO|:CEO|:EEO", but I don't think the result
> is desirable.
> I wand to see the msd of whole PEO chain.
>
> Any advice would be grateful.
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Nov 12 2019 - 08:30:03 PST
