Dear Users,
I am trying to calculate the Correlation matrix using the matrix command
using cpptraj.
parm *.prmtop
trajin average.pdb (I generate this pdb using the average command)
matrix correl :1-258 :ZN6<:2.55&:WAT&!.H= out cor7.dat byres
After running those command I fet following error.
Error: No reference set, cannot select by distance.
Mask [:ZN6<:2.55&:WAT&!.H*] corresponds to 1 atoms.
I am trying to calculate correlation matrix between protein residues and
the O atom that appear wiin 2.5 angstrom from the zinc.
Thanking you
--
*With regards,*
*Dulal Mondal,*
*Research Scholar,*
*Department of Chemistry,*
*IIT Kharagpur, Kharagpur 721302.*
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Received on Tue Apr 18 2023 - 06:00:02 PDT
