Hi,
I was wondering if it is possible to do GB calculations (minimization) with
DFTB using sqm in AmberTools. From the manual where is says support is
available for gas phase calculations I thought GB cannot be done but some
where below that it also talks about GB been based on Pellegrini and Field.
Thanks.
Emmanuel
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Received on Mon Aug 22 2011 - 13:00:05 PDT
