Hi,
Due to an error, certain AmberTools13-only cpptraj commands made it into
the AmberTools12 manual; avgcoord is one of these. Upgrade to AT13 for this
command.
In general it is recommended to use the latest version of AT.
-Dan
On Tuesday, May 21, 2013, Anselm Horn wrote:
> Dear all,
>
> I'm trying to obtain the coordinates of a geometric center of a group of
> atoms via the avgcoord command in cpptraj, e.g.
>
> avgcoord :20-25.CA outfile coord.dat magnitude
>
> However, I obtained the error "Warning: Unknown Command avgcoord" .
> My cpptraj is from AT12 (patched up to bugfix 35).
>
> I checked the AT manual of version 12 and 13, but could not find any
> syntax errors in my input.
>
> Do I miss something here or is there a problem with this command in the
> AmberTools?
>
>
> Best regards,
>
> Anselm
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org <javascript:;>
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-9119 (Fax)
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue May 21 2013 - 16:30:02 PDT
