Hi,
The 'crdframes' keyword expects a comma separated list of
<start>,<stop>,<offset> with no spaces in-between (check the
documentation). Remove the spaces from your 'crdframes' argument, e.g.
crdframes 10001,20000
-Dan
On Tue, Jun 21, 2016 at 10:26 AM, Kat G <katwin86.gmail.com> wrote:
> Hi all,
>
> I am having a trouble when performing projection of component trajectories
> on the eigenvectors calculated from combined trajectories. I cannot specify
> the starting and ending frame number for projection.
>
> [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*
> 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.
>
> When I add 'start' and 'stop'
>
> [crdaction avg-traj projection PEP modes evecs.dat beg 1 end 10
> :1-313.CA *crdframes
> start 10001 stop 20000* out PEP.dat]
> PROJECTION: Calculating projection using eigenvectors 1 to 10 of
> evecs.dat
> Results are written to PEP.dat
> *Start: 1 Stop: 20000*
> 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.
>
>
> Could anyone tell me how to make cpptraj understand the specific frame
> number for projection.
>
> Thanks
> kat
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--
-------------------------
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 - 10:30:02 PDT
