AMBER Archive (2009)

Subject: [AMBER] order of "upper" and "lower" bounds in the makeDIS_RST inputs

From: Piotr Cieplak (cieplak_at_cgl.ucsf.edu)
Date: Fri Feb 20 2009 - 15:40:14 CST

Hi
I have a question concerning documentation of makeDIST_RST in amber10 (and
all earlier) manual.
On page 183 - the description of input of -ual parameter states
that 8-col file contains "upper" (first?) and "lower" (second?) bounds.
Then on page 183 there is an example of that input file with statement
that: "An alternate, 8-column, format has both the upper and lower bounds
as the seventh and eights columns, respectively"
In an example provided:
 23 ALA HA 52 VAL H 3.2 3.8
there is an explanation that 3.2A is a lower bound and 3.8 is the upper bound,
which reverses the statements above.
What is the correct meaning and order of "lower" and "upper" bounds
in the input?

Best
Piotr

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