Re: AMBER: rms and rmsf in ptraj

From: Thomas Cheatham <>
Date: Wed, 28 Mar 2007 18:01:13 -0600 (Mountain Daylight Time)

> Can anybody tell me what's the difference between the two functions,
> "rms" and "rmsf" in the file "rms.c" of ptraj program?

Not much, although one of the routines has been updated more than the
other (i.e. the one that is commonly called throughout ptraj)... One
works in single precision (float) and the other works in double precision
(double) if I remember correctly...

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Received on Sun Apr 01 2007 - 06:07:18 PDT
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