Hi all,
I'm trying to setup an adaptively biased MD and would like some
clarification on
a few things. The first is that the manual says that atom numbers should be
indicated under the reaction coordinates . Meaning :
variable
type = R_OF_GYRATION
i = (atom#1, etc...)
end variable
However, if I want to look at variations of sets of structures the number of
atoms can easily span the hundreds. Is there a way to specify Residue
numbers
instead of manually printing out atom numbers?
Thanks.
Steven Acoca
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Received on Mon Sep 14 2009 - 13:45:53 PDT
