Dear Amber users and developers,
I would like to ask you if it is possible to perform
quantum-mechanical simulations of a proton transfer in Amber.
Is this tutorial about it?
http://ambermd.org/tutorials/advanced/tutorial10/index.html
Using DFTB, for instance.
Kind regards,
Nick
Laboratory of Drug Safety
Research Institute of Influenza,
WHO National Influenza Centre of Russia,
15/17 Professor Popov St.,
Saint-Petersburg
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Jun 03 2019 - 06:30:03 PDT
