Dear amber users,
I wonder can I do PMF calculations for some nucleophilic attack reaction in
enzyme using amber 10. I used to do that in dynamo (PMF/umbrella sampling)
but I am interested to try Amber since it offers higher level methods (DFTB)
for the QM part which dynamo doesn't. I looked through the tutorials and I
found something called streed MD (SMD), is it the same concept? any other
tutorials/examples I can follow??
Thanks
Mahmoud
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Received on Wed Mar 23 2011 - 16:30:02 PDT
