I think you can get what you want with the 'avg' analysis command. For example:
parm 3n7h_de3_solv.prmtop
parm 3n7h_new.pdb
reference 3n7h_new.pdb parm 3n7h_new.pdb
rms R0 reference out rmsd.agr .CA
avg R0 out Avg.rms.dat
Hope this helps,
-Dan
On Tue, Aug 18, 2015 at 7:43 AM, George Tzotzos <gtzotzos.me.com> wrote:
> In running cpptraj rmsd is there a way to generate stats of the type
>
> id mol avg sd min max num
> 0 3n7h_de3_solv.prmtop 1.296 0.214 0.792 2.058 2000
> 1 3n7h_new.pdb 0.000 0.000 0.000 0.000 0
>
> Thanks in advance for any suggestions
>
> Regards
>
> George
>
>
> _______________________________________________
> 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 Tue Aug 18 2015 - 07:00:07 PDT
