AMBER Archive (2008)

Subject: Re: AMBER: B-factor calculation from data with different write frequencies

From: Bill Ross (
Date: Wed May 28 2008 - 13:18:06 CDT

> The value of the B-factor CANNOT depend on your sampling frequency !

On second thought, it seems like it must to some extent, e.g. in the
limit, choosing just beginning and end frames of a long run would miss all
sorts of state. Also, couldn't it bias the result to sample one part of
the state space more than another?

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)