On Fri, Feb 20, 2009, Piotr Cieplak wrote:
> 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?
lower bound comes first, then upper bound. As usual, the example is
more helpful than just the description itself.
Also, don't hesitate to experiment, and to use the LISTIN=POUT
redirection command, which provides details about Amber is interpreting
the input.
...dac
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Received on Sun Feb 22 2009 - 01:23:14 PST
