Hi,
On Wed, Jun 24, 2015 at 11:56 AM, bharat lakhani <lakhbharat.gmail.com>
wrote:
>
> rms reference :1-99.N,CA,C,O :1-99.N,CA,O perresavg perresavg.dat
>
You're missing the 'perres' keyword.
>
> Also when i use this following line
>
> rms reference :1-99.N,CA,C,O :1-99.N,CA,O out perresavg.dat
>
In the first mask you have 'C' atoms, and in the second you don't. That
seems to account for the difference between the # of atoms selected between
the two masks. Either add 'C' to the second mask or remove it from the
first.
-Dan
>
> I get this error which does not make sense to me since both proteins
> contains same number of residues but different residues since they are
> homologous (80% sequence similarity 3A overall rmsd)
>
>
> Mask [:1-99.N,CA,C,O] corresponds to 396 atoms.
> Warning: Number of atoms in target mask (396) does not
> equal number of atoms in Ref mask (297).
> Warning: Setup failed for [rms reference :1-99.N,CA,C,O :1-99.N,CA,O out
> perresavg.dat]: Skipping
>
>
> --
> regards
>
> Bharat Lakhani
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jun 24 2015 - 13:00:04 PDT
