Dear users,
I am trying to calculate positional fluctuations using atomicfluct
{byres,byatom}, in following two ways; and getting two different sets
of values, can you please explain why the values are different in both
cases??
1.)calculating an average structure and doing rms fit to this followed
by atomicfluct command in single ptraj run like:
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Received on Tue Dec 06 2011 - 10:00:02 PST
