On Thu, May 13, 2010, Alan wrote:
>
> Reading Amber11 manual and I verified that Amber uses only SHAKE, no SETTLE,
> no LINCS, nothing else.
I guess it's rather hidden in the manual, but Ref. [28] (see p. 33 of the
Amber11 Users' Manual) shows that SETTLE is used for rigid water models.
I'll update the manual to be clearer about this, but (as always) the code
is the real source of what the program does.
....dac
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Received on Thu May 13 2010 - 09:30:03 PDT
