AMBER Archive (2007)

Subject: Re: AMBER: rms and rmsf in ptraj

From: Thomas Cheatham (tec3_at_utah.edu)
Date: Wed Mar 28 2007 - 18:01:13 CST

> 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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