Hi Paolo,
First of all - please see this time my brain has engaged quicker than my
English-biased touch-typing - and I have spelt your name correctly(!).
Thanks for the very clear explanation on force constants - this is really
helpful!
And, regarding your new non-academic position vs continued 'forcefield tools'
development in RDKit - I kind of suspected the answer before I asked! Oh well,
my non-academic position of course gives me access to commercial
implementations of MMFF + implicit solvation... It's just not nearly as fun!
: (
Kind regards
James
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