Hi Filip,
I did not implement the MC barostat in AMBER, but this paper should provide
useful background:
https://doi.org/10.1016/j.cplett.2003.12.039
The relevant AMBER code is
here: $AMBERHOME/AmberTools/src/sander/barostats.F90
--Niel
On Tue, Nov 14, 2017 at 3:09 AM, filip <filip.persson.bpc.lu.se> wrote:
> Dear AMBER developers,
>
> I would like to see a reference for the Monte Carlo barostat implemented
> in AMBER 16 in order to understand exactly how it works. The manual is
> lacking in detail here and is not of very much help unfortunately.
>
> Best regards,
> Filip Persson
>
> PhD student
> Department of Biophysical Chemistry
> Lund University
> Sweden
>
>
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Received on Tue Nov 14 2017 - 10:30:03 PST
