On Fri, Aug 16, 2013, Piotr Cieplak wrote:
> Speaking of our recent polarizable FF developments that uses point dipoles
> and point polarizabilities we developed i_resp program that apparently
> did not make through to Amber13 (yet).
> The goal was to make all those iterative processes imbedded into a single
> standalone program that works in same way as known "additive" resp in
> terms of inputs.
> So this should ease some problems at the FF development stage.
Sounds good....please try to get this (and its documentation!) into the Amber
master git repo. It should probably be a part of AmberTools.
...thanks...dave
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Received on Sat Aug 24 2013 - 07:00:04 PDT
