Dear Amber users ,
I am unable to project my trajectory on modes calculated by diagonalizing
distcovar matrix using cpptraj (Amber tools 14) . cpptraj can read the
modes from the evecs file but then exits with errors.
This is how it proceeds :
INPUT: Reading Input from file proj.ptrj
[trajin ../stacked_align.cdf]
Reading '../stacked_align.cdf' as Amber NetCDF
[projection p1 modes evecs-full.dat out pca-full beg 1 end 5 :1.6-27
&!.H*,:2.39-60&!.H*]
Reading modes from evecs-full.dat
File contains 20 modes.
Warning: # modes to read (50) > modes in file. Only reading 20 modes.
*Error: evecs type is not COVAR, MWCOVAR, DIHCOVAR, or IDEA.Error: Could
not initialize action [projection]*
1 errors encountered reading input.
TIME: Total execution time: 0.0035 seconds.
The projection goes fine for coordinate covariance matrix with the same
input methods , but fails for distance covariance method.
Vishal
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Mar 30 2015 - 06:31:16 PDT
