Thank You so much that was really helpful.
On Tue, Sep 22, 2015 at 1:46 PM, Thomas Cheatham <tec3.utah.edu> wrote:
>
> > trajin pdb_wat_md1.mdcrd
> > trajin pdb_wat_md2.mdcrd
> > rms first out pdb_wat.rms time 0.2
>
> If you read the output from CPPTRAJ (or ptraj) it will show you that you
> selected all atoms for the rms command (i.e. all waters + biomolecules).
> This will be a large RMSD. To select a subset, select some atom mask:
>
> rms first mass out pdb_wat_P.rms .P time 0.2
>
> If you need more information on masks, read the CPPTRAJ manual.
>
> --tec3
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Thank You and Regards,
Aishani Chittoor Prem
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Sep 23 2015 - 19:00:03 PDT
