Hi All
I want to compute dipole-dipole correlation function from the MD trajectory. I used the following script file
trajin MD3-1.mdcrd
matrix correl name ddcorr order 2 .1 .2 .3 .4 byatom
analyze matrix ddcorr order 2 vecs 5
analyze modes corr out ddcorr.out stack ddcorr beg 1 end 3 maskp .1 .2
But it is not working. It shows error. It shows that no mask 2 is specified for matrix.
I want to know how to rectify it?
With best regards
Sindrila
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Received on Thu Aug 04 2011 - 10:00:02 PDT
