On Tue, Jun 21, 2016 at 11:41 AM, Kat G <katwin86.gmail.com> wrote:
> I tried already without space, but it could not work. Hope that the error
> not coming from Amber version. We still use Amber 14.
>
> [crdaction avg-traj projection PEP modes evecs.dat beg 1 end 10
> :1-313.CA *crdframes
> 10001,20000* out PEP.dat]
> PROJECTION: Calculating projection using eigenvectors 1 to 10 of
> evecs.dat
> Results are written to PEP.dat
> *Start: 1 Stop: Final frame*
This is not an error. This message just means that the 'projection'
action will read all frames given to it. You can specify that
'projection' work on a subset of frames given to it, which is what the
'start' and 'stop' keywords are for. So you can do either:
crdaction avg-traj projection <args> crdframes 10001,20000 ...
or
crdaction avg-traj projection <args> start 10001 stop 20000 and obtain
the same output.
-Dan
> Atom Mask: [:1-313.CA]
> Mask [:1-313.CA] corresponds to 313 atoms.
> 0% 10% 20% 30% 40% 50% 60% 70% 80% 90% 100% Complete.
>
> Btw, since I just get Amber Digest everyday, I am sorry to start a new
> post.
>
> Thanks
> _______________________________________________
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> 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)
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Received on Tue Jun 21 2016 - 11:00:04 PDT
