Hi everyone,
I am trying to select all molecules within 3 angstroms of a given set of atoms using a mask.
I have tried the following two syntax options:
qmmask='[(:226-240 <:3.0)]'
or
qmmask='[:226-240 <:3.0]'
But for both I get the following error:
Error in group input::atommask.f::tokenize
illegal symbol in maskstr:[
Does anyone see what I am doing wrong? Any help would be greatly appreciated.
Thanks,
--
Aseel Bala Ahmed
PhD Candidate, Chemical Engineering
Michigan State University
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Received on Thu Nov 10 2016 - 15:30:02 PST
