You right, I have checked the reference and after some further reading I saw
obviously SETTLE is being using for water in AMBER.
Thanks,
Alan
On Thu, May 13, 2010 at 16:59, case <case.biomaps.rutgers.edu> wrote:
> 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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--
Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate
Department of Biochemistry, University of Cambridge.
80 Tennis Court Road, Cambridge CB2 1GA, UK.
>>http://www.bio.cam.ac.uk/~awd28<<
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Received on Thu May 13 2010 - 09:30:05 PDT
