On Tue, Oct 05, 2010, William Flak wrote:
> I am trying to use a trick in which an atom is bound to 5 extra-points.
>
> EXTRA_PTS: unexpected numnghbr array:
> define: 1 0 0 4
> This is related to extra-pionts (more than the default number 2).
What do you mean by "a trick"? There are a certain, fixed, number of extra
points environments that are hard-wired into the code. These cover the common
ways in which extra points are used, but are not intended to be fully general.
If you want an atom bound to five extra points, you will need to (a) study the
code to understand how extra points are implemented; (b) add an extra "case"
statement to get Amber to understand a new type of extra point environment.
....dac
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Received on Tue Oct 05 2010 - 12:00:06 PDT
