Dear All
I am trying to compute distance matrix, by selecting byatom options.
command used is
matrix dist .CA out distmat.dat
as far as i understand it is making a matrix for the CA atoms in all the residues.
But i want to compute the matrix for side chain carbon, i.e .CB, for that I am using command:
matrix dist out distmat.dat .C = & !.CA,C
But i am not sure that it compute matrix for all carbons except backbone alpha and carbonyl carbons as it says:
PTRAJ: matrix dist out distmatC.dat .C = & !.CA,C
Mask [.C] represents 78 atoms
WARNING: Error in mask string, no "." or ":" present (=)
Or i should just use command
matrix dist .CB out distmat.dat
Please suggest me if i am doing some mistake.
Regards
Priya
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Received on Wed Apr 23 2008 - 06:07:49 PDT
