[AMBER] Doubt in atomicfluct usage

From: Asmita Gupta <asmita4des.gmail.com>
Date: Tue, 6 Dec 2011 23:20:50 +0530

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

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
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