Dear Amber Users
I was trying to use pairdist function to compute the distribution of
distance between two sets of atoms. So the command I gave was as follows:
pairdist out ring :MOL.N1,N2,C1,C2,C3 :MOL.N1,N2,C1,C2,C3 0.1
However on execution i get an error saying
Error: pairdist: No mask1 specified.
Is there a particular way of specifying the mask? Couldn't figure out from
the manual.
Also, when I give a set of atoms, does the function consider the
center-of-mass?
Thanks for any help
--
Debostuti Ghosh Dastidar
Department of Biotechnology
Indian Institute of Technology Madras
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Received on Mon Nov 17 2014 - 07:00:02 PST
