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
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Jun 21 2016 - 09:30:03 PDT
